AG00EIZW

57699-28-2 | Methyl 2-(4-bromophenyl)-2-oxoacetate

AG00EIZW

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CAS Number	57699-28-2
Catalog Number	AG00EIZW(AGN-PC-0SO6EC)
Chemical Name	Methyl 2-(4-bromophenyl)-2-oxoacetate
IUPAC Name	methyl 2-(4-bromophenyl)-2-oxoacetate
InChI	InChI=1S/C9H7BrO3/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5H,1H3
InChI Key	ZFPFIURFXDPBIP-UHFFFAOYSA-N
MDL Number	MFCD00193630
Molecular Formula	C9H7BrO3
Molecular Weight	243.0541
SMILES	O=C(OC)C(C1=CC=C(Br)C=C1)=O
Synonyms	methyl 2-(4-bromophenyl)-2-oxoacetate, 57699-28-2, methyl (4-bromophenyl)(oxo)acetate, Methyl p-bromobenzoylformate, SCHEMBL7620437, CTK6I6914, KS-00000RZX, DTXSID80459133, ZFPFIURFXDPBIP-UHFFFAOYSA-N, MFCD00193630, ZINC49831173, AKOS022176250, CS-W022782, DS-7711, AK143703, 4-Bromo-oxo-benzeneacetic acid methyl ester, AJ-111482, 4CH-003569, FT-0699445, ST24047624, 2-(4-Bromophenyl)glyoxylic acid methyl ester, CID11218741, Methyl 2-(4-bromophenyl)-2-oxo-acetate,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.958g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.056g/mol
Monoisotopic Mass	241.958g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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