2-Bromophenyl Acetate

CAT: 1299-RG-A261989-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A261989-02Size:25 mg

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CAS Number

1829-37-4

Synonyms

2-bromophenyl acetate

Molecular Formula

C8H7BrO2

Molecular Weight

215.05

Product Name Synonym

2-bromophenyl acetate

Chemical Information

o-Bromophenyl acetate

CAS Number	1829-37-4
PubChem CID	74586
IUPAC Name	(2-bromophenyl) acetate
Molecular Formula	C8H7BrO2
Molecular Weight	215.04
XLogP	2.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	147

SMILES

CC(=O)OC1=CC=CC=C1Br

InChI

InChI=1S/C8H7BrO2/c1-6(10)11-8-5-3-2-4-7(8)9/h2-5H,1H3

InChIKey

BEHBHYYPTOHUHX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1829-37-4

CID: 74586

Formula: C8H7BrO2

MW: 215.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.04
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	213.96294
Monoisotopic Mass	213.96294
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	147
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
OR1051694-01	2-Bromophenyl acetate
454713-01	Methyl 2- (2-Bromophenyl) acetate
283727-01	Methyl 2- (3-bromophenyl) acetate
B124678	Ethyl 2-(3-Bromophenyl)acetate
FH KK 0008-01	[acetyloxy- (2-bromophenyl) methyl] acetate
448737-01	Ethyl 2- (3-bromophenyl) acetate
OR30205-01	2- (4-bromophenyl) -2-oxoethyl acetate
OR10836-01	4-Bromophenyl acetate
YEA08807-01	Tert-Butyl 2- (2-bromophenyl) acetate
OR11334	Methyl bromophenyl acetate