(1-Bromoethyl) benzene

CAT: 1266-JH920221Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH920221Size:1 Each

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CAS Number

585-71-7

Molecular Formula

C8H9Br

Molecular Weight

185.06

Chemical Information

(1-Bromoethyl)benzene

RN given refers to parent cpd

CAS Number	585-71-7
PubChem CID	11454
IUPAC Name	1-bromoethylbenzene
Molecular Formula	C8H9Br
Molecular Weight	185.06
XLogP	2.9
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	74

SMILES

CC(C1=CC=CC=C1)Br

InChI

InChI=1S/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3

InChIKey

CRRUGYDDEMGVDY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 585-71-7

CID: 11454

Formula: C8H9Br

MW: 185.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.06
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	183.98876
Monoisotopic Mass	183.98876
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	74.6
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
JH682394	1-bromo-3- (2-bromoethyl) benzene
JH696763	1- (2-bromoethyl) pyrrolidine
JH166386	Methyl 4- (1-bromoethyl) benzoate
JH314673	Methyl 3- (1-bromoethyl) benzoate
JH231565	1- (bromomethyl) -2-methyl-3- (trifluoromethyl) benzene
JH109028	1-bromo-2,3-bis (bromomethyl) benzene
JH914003	1-Bromomethyl-2-methyl-4-nitro-benzene
JH919361	Benzene, 1- (bromomethyl) -4-[ (1,2,2-trifluoroethenyl) oxy]-
JH263318	2- (2-Bromoethyl) -1,3-dioxane
JH351314	5- (2-bromoethyl) -1,3-benzodioxole

Catalog	Name
TRC-B151411-1G	(1-Bromoethyl)benzene
sc-222677A	(1-Bromoethyl) benzene
263768-01	(1S) -1-Bromoethyl benzene
OR1079537-01	(S) - (1-Bromoethyl) Benzene
HY-W016254S-01	(1-Bromoethyl) benzene-d3
159454	(2-Bromoethyl) benzene
TRC-B683985-50G	(2-Bromoethyl)benzene
ZAA30878-01	1-Bromo-4- (1-bromoethyl) benzene
RID51183-01	1- (1-Bromoethyl) -3- (trifluoromethoxy) benzene
OR315894-01	1-Bromo-2- (1-bromoethyl) benzene