Methyl 2- (4-bromophenyl) -2-chloroacetate

CAT: 0926-ZEA57393-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-ZEA57393-01Size:50 mg

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CAS Number

124573-93-9

MDL Number

MFCD16694232

Smiles

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

Molecular Formula

C9H8BrClO2

Molecular Weight

263.51 g/mol

Controlled

Chemical Information

Methyl 2-(4-bromophenyl)-2-chloroacetate

CAS Number	124573-93-9
PubChem CID	12921309
IUPAC Name	methyl 2-(4-bromophenyl)-2-chloroacetate
Molecular Formula	C9H8BrClO2
Molecular Weight	263.51
XLogP	3.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	178

SMILES

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

InChI

InChI=1S/C9H8BrClO2/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8H,1H3

InChIKey

NSGPRRIZASKEEN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 124573-93-9

CID: 12921309

Formula: C9H8BrClO2

MW: 263.51

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	263.51
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	261.93962
Monoisotopic Mass	261.93962
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	178
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
CMC88560-01	Methyl 2- (3-bromo-4-chlorophenyl) -2-chloroacetate
FEB24751-01	(4-Bromophenyl) methyl 2-hydroxybenzoate
KRB23510	Methyl 4- (2-Bromophenyl) -2,4-dioxobutanoate
HCA69928	Methyl 2- (4-bromophenyl) -2-oxoacetate
PKA88199-01	Methyl 2- (4-bromophenyl) -2-diazoacetate
CFA70920-01	Methyl 2- (4-bromophenyl) -2-hydroxyacetate
XQB15594-01	Methyl 2- (4-bromophenyl) -2,2-difluoroacetate
VYB02042-01	4-Piperidinyl 2-chloroacetate hydrochloride
RLB32280-01	2-[ (4-Bromophenyl) methyl]-3-hydroxypropanenitrile
AEB68306-01	[2- (4-bromophenyl) ethyl] (methyl) amine

Catalog	Name
414503-01	2-[ (4-Bromophenyl) methyl]pyridine
OR85992-01	Methyl 2- (4-bromophenyl) propanoate
sc-353900	Methyl 4- (2-bromophenyl) -2,4-dioxobutanoate
454737-01	Methyl 2- (4-bromophenyl) -2-oxoacetate
454736-01	Methyl 2- (4-bromophenyl) -2-cyanoacetate
sc-473113	Methyl 4- (4-bromophenyl) -2,4-dioxobutanoate
sc-290418	4-methyl-2-oxo-2H-chromen-7-yl chloroacetate
TRC-M294390-1G	Methyl 2-(4-Bromophenyl)-2,2-dimethylacetate
sc-211820	Methyl 2- (4-Bromophenyl) -2,2-dimethylacetate
PC1008819	Methyl 2- (4-bromophenyl) -2,2-difluoroacetate