Dodecyl 4-chloro-3,5-dinitrobenzoate

CAS
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Purity
Price
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CAS
94021-87-1
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM94021871

Product Name

Dodecyl 4-chloro-3,5-dinitrobenzoate

Structure

Structure

CAS

94021-87-1

Category

Heterocyclic Organic Compound

Synonyms

Dodecyl 4-chloro-3,5-dinitrobenzoate, EINECS 301-479-1, CID3023288, 94021-87-1

IUPAC Name

dodecyl 4-chloro-3,5-dinitrobenzoate

Molecular Weight

414.880480 [g/mol]

Molecular Formula

C₁₉H₂₇ClN₂O₆

Canonical SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI Key

NKXANKOKHSNAJJ-UHFFFAOYSA-N

Boiling Point

505.8ºC at 760mmHg

Flash Point

259.7ºC

Density

1.204g/cm³

EC Number

301-479-1

Exact Mass

414.15600

H-Bond Acceptor

6

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Dodecyl 4-chloro-3,5-dinitrobenzoate?

The molecular formula of Dodecyl 4-chloro-3,5-dinitrobenzoate is C19H27ClN2O6.

What is the molecular weight of Dodecyl 4-chloro-3,5-dinitrobenzoate?

The molecular weight of Dodecyl 4-chloro-3,5-dinitrobenzoate is 414.9 g/mol.

What is the IUPAC name of Dodecyl 4-chloro-3,5-dinitrobenzoate?

The IUPAC name of Dodecyl 4-chloro-3,5-dinitrobenzoate is dodecyl 4-chloro-3,5-dinitrobenzoate.

What is the InChIKey of Dodecyl 4-chloro-3,5-dinitrobenzoate?

The InChIKey of Dodecyl 4-chloro-3,5-dinitrobenzoate is NKXANKOKHSNAJJ-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Dodecyl 4-chloro-3,5-dinitrobenzoate have?

Dodecyl 4-chloro-3,5-dinitrobenzoate has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Dodecyl 4-chloro-3,5-dinitrobenzoate have?

Dodecyl 4-chloro-3,5-dinitrobenzoate has 6 hydrogen bond acceptor counts.

What is the exact mass of Dodecyl 4-chloro-3,5-dinitrobenzoate?

The exact mass of Dodecyl 4-chloro-3,5-dinitrobenzoate is 414.1557643 g/mol.

How many rotatable bond counts does Dodecyl 4-chloro-3,5-dinitrobenzoate have?

Dodecyl 4-chloro-3,5-dinitrobenzoate has 13 rotatable bond counts.

What is the topological polar surface area of Dodecyl 4-chloro-3,5-dinitrobenzoate?

The topological polar surface area of Dodecyl 4-chloro-3,5-dinitrobenzoate is 118Å².

Is Dodecyl 4-chloro-3,5-dinitrobenzoate a canonicalized compound?

Yes, Dodecyl 4-chloro-3,5-dinitrobenzoate is a canonicalized compound.

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