3-Bromostyrene

CAT: 0127-OR17825-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR17825-01Size:1 g

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CAS Number

2039-86-3

Synonyms

1-Bromo-3-vinylbenzene

MDL Number

MFCD00000088

Purity

96%

Smiles

Brc1cccc(C=C)c1

Additionnal Information

Stabilised with 4-tert-butylcatechol

Storage Conditions

Store at 2-8°C

Chemical Information

3-Bromostyrene

CAS Number	2039-86-3
PubChem CID	74870
IUPAC Name	1-bromo-3-ethenylbenzene
Molecular Formula	C8H7Br
Molecular Weight	183.04
XLogP	3.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	98

SMILES

C=CC1=CC(=CC=C1)Br

InChI

InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2

InChIKey

KQJQPCJDKBKSLV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2039-86-3

CID: 74870

Formula: C8H7Br

MW: 183.04

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	183.04
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	181.97311
Monoisotopic Mass	181.97311
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	98.7
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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Catalog	Name
sc-234221	β-Bromostyrene
sc-252136	4-Bromostyrene
263305-01	2-Bromostyrene
B24725-01	A-Bromostyrene 90%
B24750	M-Bromostyrene
B24768-01	P-Bromostyrene 98%
sc-272259	(-) - (R) -4-Bromostyrene oxide
TRC-B686993-5G	4-Bromostyrene (Stabilized with TBC)
B24730-01	W-Bromostyrene mixture of isomers
15137963	2-Bromostyrene (Stabilized with TBC)

3-Bromostyrene

Chemical Information

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