AG00EICM

58914-40-2 | 4-bromomethylbenzamide

AG00EICM

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CAS Number	58914-40-2
Catalog Number	AG00EICM(AGN-PC-0JTASI)
Chemical Name	4-bromomethylbenzamide
IUPAC Name	4-(bromomethyl)benzamide
InChI	InChI=1S/C8H8BrNO/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H2,10,11)
InChI Key	KXODOFITUJNMKA-UHFFFAOYSA-N
MDL Number	MFCD09743698
Molecular Formula	C8H8BrNO
Molecular Weight	214.0592
SMILES	O=C(N)C1=CC=C(CBr)C=C1
Synonyms	4-(bromomethyl)benzamide, 58914-40-2, 4-Bromomethylbenzamide, Benzamide, 4-(bromomethyl)-, KXODOFITUJNMKA-UHFFFAOYSA-N, AK-22178, AC1LBKCJ, 4-bromomethyl-benzamide, 4-(bromomethyl)-benzamide, AC1Q27OV, SCHEMBL61340, CTK1E8586, DTXSID20342757, 4-bromomethylbenzamide, AldrichCPR, ANW-53788, MFCD09743698, SBB094904, ZINC12957047, AKOS016000188, AM83149, FCH1392440, AJ-63268, BBV-40268547, CJ-14275, DS-10424, AB0052061, AX8224029, DB-072541, TC-142533, 4CH-011267, FT-0737653, ST24023197, M-9210, AR-1F6719, CID584216, 59396-50-8,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.979g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.062g/mol
Monoisotopic Mass	212.979g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3077

Certificate of Analysis

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