Methyl 2- (4-bromophenyl) -2-oxoacetate

CAT: 0926-HCA69928Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-HCA69928Size:2.5 g

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CAS Number

57699-28-2

MDL Number

MFCD00193630

Smiles

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

Molecular Formula

C9H7BrO3

Molecular Weight

243.06 g/mol

Controlled

Chemical Information

Methyl 2-(4-bromophenyl)-2-oxoacetate

CAS Number	57699-28-2
PubChem CID	11218741
IUPAC Name	methyl 2-(4-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	207

SMILES

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

InChI

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

InChIKey

ZFPFIURFXDPBIP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57699-28-2

CID: 11218741

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	207
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
XFA98365-01	Methyl 2- (4-aminophenyl) -2-oxoacetate
JBA96653-01	Methyl 2- (4-methylphenyl) -2-oxoacetate
HBA76661-01	Methyl 2- (4-methoxyphenyl) -2-oxoacetate
MBA54228	Methyl 2- (4-chlorophenyl) -2-oxoacetate
PBA16344-01	Methyl 2-cyclopentyl-2-oxoacetate
PKA88199-01	Methyl 2- (4-bromophenyl) -2-diazoacetate
CFA70920-01	Methyl 2- (4-bromophenyl) -2-hydroxyacetate
QMC65791-01	Methyl 2- (4-methylpiperidin-1-yl) -2-oxoacetate
ZEA57393-01	Methyl 2- (4-bromophenyl) -2-chloroacetate
FEB24751-01	(4-Bromophenyl) methyl 2-hydroxybenzoate

Catalog	Name
454737-01	Methyl 2- (4-bromophenyl) -2-oxoacetate
OR90713-01	Methyl 2- (2-bromophenyl) -2-oxoacetate
OR1033371-01	Methyl 2- (3-bromophenyl) -2-oxoacetate
OR1072175-01	Methyl 2- (4-cyanophenyl) -2-oxoacetate
OR95940-01	Methyl 2- (4-chlorophenyl) -2-oxoacetate
PC103711-01	Methyl 2- (4-fluorophenyl) -2-oxoacetate
OR1006809	Methyl 2- (4-nitrophenyl) -2-oxoacetate
OR90693-01	Methyl 2- (4-hydroxyphenyl) -2-oxoacetate
OR92636	Methyl 2- (3,4-dimethoxyphenyl) -2-oxoacetate
OR85992-01	Methyl 2- (4-bromophenyl) propanoate