1-Bromooctane pure, 98%

CAT: 0565-31868-01Size: 100 mLDry Ice: NoHazardous: No

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CAT#:0565-31868-01Size:100 mL

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Description

Part B

CAS Number

111-83-1

UN Code

UN No.: 3082, IMCO Class No.: 9, Packing Group: III

Storage Temperature

Room Temperature

Chemical Information

1-Bromooctane

CAS Number	111-83-1
PubChem CID	8140
IUPAC Name	1-bromooctane
Molecular Formula	C8H17Br
Molecular Weight	193.12
XLogP	4.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Heavy Atom Count	9
Formal Charge	0
Complexity	43

SMILES

CCCCCCCCBr

InChI

InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

InChIKey

VMKOFRJSULQZRM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111-83-1

CID: 8140

Formula: C8H17Br

MW: 193.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.12
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Exact Mass	192.05136
Monoisotopic Mass	192.05136
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	43.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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