3-Bromocyclohex-1-ene

CAT: 0127-OR80526-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR80526-01Size:1 g

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CAS Number

1521-51-3

Purity

95%

Smiles

BrC1C=CCCC1

Chemical Information

3-Bromocyclohexene

CAS Number	1521-51-3
PubChem CID	137057
IUPAC Name	3-bromocyclohexene
Molecular Formula	C6H9Br
Molecular Weight	161.04
XLogP	2.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	76

SMILES

C1CC=CC(C1)Br

InChI

InChI=1S/C6H9Br/c7-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2

InChIKey

AJKDUJRRWLQXHM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1521-51-3

CID: 137057

Formula: C6H9Br

MW: 161.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	161.04
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	159.98876
Monoisotopic Mass	159.98876
Topological Polar Surface Area	0 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	76.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1009415-01	1-Bromocyclohex-1-Ene
OR93331-01	2-Bromocyclohex-1-ene-1-carboxylic acid
OR6825T	6-Bromocyclohex-4-ene-1,2,3-triol
OR59406	1-Bromocyclohept-1-ene
OR1085937-01	Methyl 4-bromocyclohex-3-enecarboxylate
OR85349-01	Ethyl 4-bromocyclohex-3-enecarboxylate
OR960465-01	2-Bromocyclohex-2-en-1-one
OR1050955-01	But-3-ene-1-sulfonamide
PC4179Y-01	3-Fluoroprop-1-ene
PC5705-01	3-Bromoperfluoroprop-1-ene

Catalog	Name
431254-01	4-Bromocyclohex-3-ene-1-carboxylic acid
449231-01	Ethyl 4-bromocyclohex-3-ene-1-carboxylate
GCA67181-01	3-Bromocyclohex-2-en-1-one
408007-01	1- (4-Bromocyclohex-3-en-1-yl) ethanone
416315-01	2-Bromocyclohex-2-en-1-one
RG-P022582-01	3-Methylbut-1-Ene
AR-F01013-01	3-bromoprop-1-ene
RLA51402-01	But-3-ene-1-sulfonamide
TRC-I119230-1G	3-Iodoprop-1-ene
LBA29149-01	3-Bromocyclohept-1-ene