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Structure

Octane,1-(bromomethoxy)-

CAS
96384-68-8
Catalog Number
ACM96384688
Category
Other Products
Molecular Weight
223.15
Molecular Formula
C9H19 Br O

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Specification

Synonyms
BROMOMETHYL OCTYL ETHER;BROMOMETHYL OCTYL ETHER TECH. 90%
IUPAC Name
1-(bromomethoxy)octane
Canonical SMILES
CCCCCCCCOCBr
InChI Key
PMGWYOXUKDCMNK-UHFFFAOYSA-N
Flash Point
215 °F
Density
1.126 g/mL at 25 °C(lit.)
Exact Mass
222.06200
H-Bond Acceptor
1
H-Bond Donor
0
WGK Germany
3
What is the molecular formula of Octane, 1-(bromomethoxy)?

The molecular formula is C9H19BrO.

What is the molecular weight of Octane, 1-(bromomethoxy)?

The molecular weight is 223.15 g/mol.

What is the IUPAC name of Octane, 1-(bromomethoxy)?

The IUPAC name is 1-(bromomethoxy)octane.

What is the InChI of Octane, 1-(bromomethoxy)?

The InChI is InChI=1S/C9H19BrO/c1-2-3-4-5-6-7-8-11-9-10/h2-9H2,1H3.

What is the InChIKey of Octane, 1-(bromomethoxy)?

The InChIKey is PMGWYOXUKDCMNK-UHFFFAOYSA-N.

What is the canonical SMILES of Octane, 1-(bromomethoxy)?

The canonical SMILES is CCCCCCCCOCBr.

What is the CAS number of Octane, 1-(bromomethoxy)?

The CAS number is 96384-68-8.

What is the XLogP3-AA value of Octane, 1-(bromomethoxy)?

The XLogP3-AA value is 4.4.

How many hydrogen bond donor counts does Octane, 1-(bromomethoxy) have?

It has 0 hydrogen bond donor counts.

How many rotatable bond counts does Octane, 1-(bromomethoxy) have?

It has 8 rotatable bond counts.

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