4- (Bromomethyl) cyclopentene

CAT: 0926-FDA86433-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FDA86433-01Size:50 mg

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CAS Number

80864-33-1

Smiles

C1C=CCC1CBr

Molecular Formula

C6H9Br

Molecular Weight

161.04 g/mol

Controlled

Chemical Information

4-(Bromomethyl)cyclopent-1-ene

CAS Number	80864-33-1
PubChem CID	11217413
IUPAC Name	4-(bromomethyl)cyclopentene
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	1
Heavy Atom Count	7
Formal Charge	0
Complexity	68

SMILES

C1C=CCC1CBr

InChI

InChI=1S/C6H9Br/c7-5-6-3-1-2-4-6/h1-2,6H,3-5H2

InChIKey

ZJJCUBVFAXPMQD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80864-33-1

CID: 11217413

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	1
Exact Mass	159.98876
Monoisotopic Mass	159.98876
Topological Polar Surface Area	0 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	68.2
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

Catalog	Name
UCA54315-01	1- (bromomethyl) cyclopentene
FC45544-01	Cyclopentene
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LEA51148-01	4- (Bromomethyl) -4-ethoxyoxane
BEA65429-01	4- (Bromomethyl) heptane
DGA99399-01	4- (Bromomethyl) picolinonitrile
LEA51147-01	4- (Bromomethyl) -4-methoxyoxane
FB19258-01	4- (Bromomethyl) biphenyl
FB70351-01	4- (Bromomethyl) benzophenone
FB10749-01	4- (Bromomethyl) benzaldehyde

Catalog	Name
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