Methyl 3-bromobenzoate

CAT: 0127-OR2197-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR2197-01Size:25 g

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CAS Number

618-89-3

MDL Number

MFCD00017777

Purity

97%

Smiles

COC(=O)c1cccc(Br)c1

Chemical Information

Methyl 3-bromobenzoate

CAS Number	618-89-3
PubChem CID	12070
IUPAC Name	methyl 3-bromobenzoate
Molecular Formula	C8H7BrO2
Molecular Weight	215.04
XLogP	2.9
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

COC(=O)C1=CC(=CC=C1)Br

InChI

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

InChIKey

KMFJVYMFCAIRAN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 618-89-3

CID: 12070

Formula: C8H7BrO2

MW: 215.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.04
XLogP3	2.9
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

Catalog	Name
OR26843-01	Methyl 2-bromobenzoate
OR903500-01	Methyl 2-amino-3-bromobenzoate
OR75305-01	Methyl 3-amino-5-bromobenzoate
OR1075858-01	Methyl 3- (acetoxymethyl) -4-bromobenzoate
OR9763-01	Methyl 4-amino-3-bromobenzoate
OR110414-01	Methyl 4-bromobenzoate
OR1085938	Methyl 3- (benzyloxy) -5-bromobenzoate
OR301136-01	Methyl 3-amino-2-bromobenzoate
OR86985-01	Methyl 3- (aminomethyl) -5-bromobenzoate
OR350503-01	Methyl 3-Amino-4-bromobenzoate

Catalog	Name
sc-235720	Methyl 3-bromobenzoate
TRC-M296008-500MG	Methyl 2-bromobenzoate
abx184203-01	Methyl 4-bromobenzoate
DXC60932-01	Methyl 3- (benzylsulfanyl) -5-bromobenzoate
283489-01	Methyl 4-amino-3-bromobenzoate
RG-B011300-01	Methyl 2-Amino-3-Bromobenzoate
283058-01	Methyl 3-amino-4-bromobenzoate
KAC67957-01	Methyl 4- (aminomethyl) -3-bromobenzoate
455148-01	Methyl 3-amino-5-bromobenzoate
GEA89648-01	Methyl 3-amino-2-bromobenzoate