AG00280W

20201-26-7 | Benzeneacetic acid, 4-bromo-α-oxo-, ethyl ester

AG00280W

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CAS Number	20201-26-7
Catalog Number	AG00280W(AGN-PC-0QSLM5)
Chemical Name	Benzeneacetic acid, 4-bromo-α-oxo-, ethyl ester
IUPAC Name	ethyl 2-(4-bromophenyl)-2-oxoacetate
InChI	InChI=1S/C10H9BrO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
InChI Key	SFOMTBBEDGCTHQ-UHFFFAOYSA-N
MDL Number	MFCD06659764
Molecular Formula	C10H9BrO3
Molecular Weight	257.0807
SMILES	CCOC(=O)C(=O)C1=CC=C(Br)C=C1
Synonyms	20201-26-7, Ethyl 2-(4-bromophenyl)-2-oxoacetate, ETHYL 4-BROMOBENZOYLFORMATE, Ethyl 4-bromobenzoyl formate, Ethyl (4-bromophenyl)glyoxylate, ETHYL 4-BROMOPHENYLGLYOXYLATE, AK110864, BENZENEACETIC ACID, 4-BROMO-ALPHA-OXO-, ETHYL ESTER, Ethyl 2-(4-bromophenyl)-2-oxo-acetate, PubChem10652, ethyl-4-bromobenzoylformate, Ethyl p-bromophenylglyoxylate, SCHEMBL696315, CTK4E3543, DTXSID00444102, SFOMTBBEDGCTHQ-UHFFFAOYSA-N, KS-00000J2S, CE-865, MFCD06659764, ZINC40442544, AKOS010879643, 4-Bromophenyloxoacetic acid ethyl ester, AB26265, AN-3721, CS-W005516, AS-15835, BBV-33270977, BC003553, DA-08487, SC-32925, ETHYL (4-BROMOPHENYL)(OXO)ACETATE, AB0017949, AJ-102304, AX8019227, ST2412893, TR-009407, 4-BROMOBENZOYLFORMIC ACID ETHYL ESTER, 4CH-016690, FT-0649692, Benzeneacetic acid,4-bromo-a-oxo-, ethyl ester, 2-(4-bromophenyl)-2-oxoacetic acid ethyl ester, 201E267, A814330, Benzeneacetic acid, 4-bromo-?-oxo-, ethyl ester, ethyl 2-(4-bromophenyl)-2-oxidanylidene-ethanoate, (4-BROMO-PHENYL)-OXO-ACETIC ACID ETHYL ESTER, Ethyl4-bromobenzoylformate, C10H9BrO3, 2-(4-bromophenyl)-2-oxoacetate, CID10729811, R021,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.974g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.083g/mol
Monoisotopic Mass	255.974g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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