Carbonochloridic acid,1-chloro-2-methylpropyl ester

CAS
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Purity
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CAS
92600-11-8
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM92600118

Product Name

Carbonochloridic acid,1-chloro-2-methylpropyl ester

Structure

Structure

CAS

92600-11-8

Category

Heterocyclic Organic Compound

Synonyms

ZINC02539482, ZINC04262407, CID7157208, 92600-11-8

IUPAC Name

[(1S)-1-chloro-2-methylpropyl] carbonochloridate

Molecular Weight

171.02

Molecular Formula

C₅H₈Cl₂O₂

Canonical SMILES

CC(C)C(OC(=O)Cl)Cl

InChI Key

BOGLZTPABVHWDD-SCSAIBSYSA-N

Boiling Point

164.3ºC at 760 mmHg

Flash Point

128 °F

Density

1.173 g/mL at 25ºC(lit.)

Appearance

clear, colorless liquid

EC Number

618-859-0

Exact Mass

169.99000

Hazard Statements

T: Toxic;

H-Bond Acceptor

2

H-Bond Donor

0

Packing Group

III

Safety Description

16-26-36/37/39-45

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Carbonochloridic acid, 1-chloro-2-methylpropyl ester?

The molecular formula of Carbonochloridic acid, 1-chloro-2-methylpropyl ester is C5H8Cl2O2.

What is the molecular weight of Carbonochloridic acid, 1-chloro-2-methylpropyl ester?

The molecular weight of Carbonochloridic acid, 1-chloro-2-methylpropyl ester is 171.02 g/mol.

What is the InChIKey of Carbonochloridic acid, 1-chloro-2-methylpropyl ester?

The InChIKey of Carbonochloridic acid, 1-chloro-2-methylpropyl ester is BOGLZTPABVHWDD-UHFFFAOYSA-N.

How many hydrogen bond acceptor count does Carbonochloridic acid, 1-chloro-2-methylpropyl ester have?

Carbonochloridic acid, 1-chloro-2-methylpropyl ester has 2 hydrogen bond acceptor counts.

What is the exact mass of Carbonochloridic acid, 1-chloro-2-methylpropyl ester?

The exact mass of Carbonochloridic acid, 1-chloro-2-methylpropyl ester is 169.9901349 g/mol.

What is the topological polar surface area of Carbonochloridic acid, 1-chloro-2-methylpropyl ester?

The topological polar surface area of Carbonochloridic acid, 1-chloro-2-methylpropyl ester is 26.3 Å2.

How many heavy atoms are present in Carbonochloridic acid, 1-chloro-2-methylpropyl ester?

There are 9 heavy atoms present in Carbonochloridic acid, 1-chloro-2-methylpropyl ester.

Does Carbonochloridic acid, 1-chloro-2-methylpropyl ester have any defined atom stereocenter count?

No, Carbonochloridic acid, 1-chloro-2-methylpropyl ester does not have any defined atom stereocenter count.

How many rotatable bond counts does Carbonochloridic acid, 1-chloro-2-methylpropyl ester have?

Carbonochloridic acid, 1-chloro-2-methylpropyl ester has 3 rotatable bond counts.

Is Carbonochloridic acid, 1-chloro-2-methylpropyl ester a canonicalized compound?

Yes, Carbonochloridic acid, 1-chloro-2-methylpropyl ester is a canonicalized compound.

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