AG003RPB

27475-19-0 | methyl 3-(2-bromoacetyl)benzoate

AG003RPB

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CAS Number	27475-19-0
Catalog Number	AG003RPB(AGN-PC-00NAM9)
Chemical Name	methyl 3-(2-bromoacetyl)benzoate
IUPAC Name	methyl 3-(2-bromoacetyl)benzoate
InChI	InChI=1S/C10H9BrO3/c1-14-10(13)8-4-2-3-7(5-8)9(12)6-11/h2-5H,6H2,1H3
InChI Key	QOUUCORIWWWPLU-UHFFFAOYSA-N
MDL Number	MFCD09834617
Molecular Formula	C10H9BrO3
Molecular Weight	257.0807
SMILES	O=C(OC)C1=CC=CC(C(CBr)=O)=C1
Synonyms	Methyl 3-(2-bromoacetyl)benzoate, 27475-19-0, 3-(2-Bromo-acetyl)-benzoic acid methyl ester, methyl 3-(bromoacetyl)benzoate, Benzoic acid, 3-(bromoacetyl)-, methyl ester, ACMC-1CJ0Z, Benzoic acid, 3-(2-bromoacetyl)-, methyl ester, SCHEMBL1505193, CTK4F9765, Methyl3-(2-Bromoacetyl)benzoate, QOUUCORIWWWPLU-UHFFFAOYSA-N, KS-00000BT3, ANW-26211, methyl 3-(2-bromo-acetyl)-benzoate, MFCD09834617, SC5071, ZINC34107947, AKOS015969241, MP-0189, ACM27475190, 915402-28-7, AJ-86980, CJ-18185, FS005061, SC-72259, SY026657, AB0058562, AX8243328, DB-067794, ST2419536, TX-013002, 3-(2-Bromo-acetyl)-benzoic acidmethyolester, 4CH-012286, FT-0707063, Z4537, MFCD09834617 (95%), Benzoic acid,3-(2-bromoacetyl)-, methyl ester, J-016778, 3- -benzoicacidmethylester, C10H9BrO3,

Complexity	227
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	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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