Methyl 2- (3-bromophenyl) -2-oxoacetate

CAT: 0127-OR1033371-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1033371-01Size:100 mg

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CAS Number

81316-36-1

Purity

98%

Smiles

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

Chemical Information

Methyl 2-(3-bromophenyl)-2-oxoacetate

CAS Number	81316-36-1
PubChem CID	11615668
IUPAC Name	methyl 2-(3-bromophenyl)-2-oxoacetate
Molecular Formula	C9H7BrO3
Molecular Weight	243.05
XLogP	2.3
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	215

SMILES

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

InChI

InChI=1S/C9H7BrO3/c1-13-9(12)8(11)6-3-2-4-7(10)5-6/h2-5H,1H3

InChIKey

JHRVFNCYNNNVSI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 81316-36-1

CID: 11615668

Formula: C9H7BrO3

MW: 243.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	243.05
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	241.95786
Monoisotopic Mass	241.95786
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	215
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
OR90713-01	Methyl 2- (2-bromophenyl) -2-oxoacetate
OR91994-01	Methyl 2- (4-bromophenyl) -2-oxoacetate
OR1098370	Ethyl 2- (3-bromophenyl) -2-oxoacetate
OR1093149	Ethyl 2- (2-bromophenyl) -2-oxoacetate
OR926113-01	Ethyl 2- (4-bromophenyl) -2-oxoacetate
OR1001872-01	Methyl 2- (3-chlorophenyl) -2-oxoacetate
OR1051781-01	Methyl 2- (methylamino) -2-oxoacetate
OR92636	Methyl 2- (3,4-dimethoxyphenyl) -2-oxoacetate
OR922435-01	Methyl 2-cyclohexyl-2-oxoacetate
PC1014682-01	Methyl 2- (2-bromo-3-fluorophenyl) -2-oxoacetate

Catalog	Name
HCA69928	Methyl 2- (4-bromophenyl) -2-oxoacetate
MCA99559-01	Methyl 2- (2-methyl-1H-indol-3-yl) -2-oxoacetate
FCA22323-01	3- (2-Bromophenyl) -2-[ (2-bromophenyl) methyl]propanoic acid
FM46201	Methyl 2- (3-bromophenyl) acetate
AZB78484-01	2-[ (3-Bromophenyl) methyl]piperidine
BGA49040-01	Methyl 2- (1-methyl-1H-indol-3-yl) -2-oxoacetate
QMC40420-01	Methyl 2- (3-methylpiperidin-1-yl) -2-oxoacetate
XZB54572-01	Methyl 2- (3-bromophenyl) -2-hydroxypropanoate
PDC25258-01	2-[ (2-Bromophenyl) methyl]-3-hydroxypropanenitrile
454724-01	Methyl 2- (3-bromophenyl) -2-cyanoacetate