AG00DBEW

509073-67-0 | 3-(bromomethyl)benzamide

AG00DBEW

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CAS Number	509073-67-0
Catalog Number	AG00DBEW(AGN-PC-0JTAOT)
Chemical Name	3-(bromomethyl)benzamide
IUPAC Name	3-(bromomethyl)benzamide
InChI	InChI=1S/C8H8BrNO/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H2,10,11)
InChI Key	ORRDZVRYRNYLMB-UHFFFAOYSA-N
MDL Number	MFCD23135264
Molecular Formula	C8H8BrNO
Molecular Weight	214.0592
SMILES	O=C(N)C1=CC=CC(CBr)=C1
Synonyms	3-(bromomethyl)benzamide, 509073-67-0, ORRDZVRYRNYLMB-UHFFFAOYSA-N, AK100650, 3-Bromomethylbenzamide, 3-bromomethyl-benzamide, AC1LBK14, Benzamide, 3-(bromomethyl)-, SCHEMBL2108942, CTK5I9844, DTXSID80342733, KS-00000QQ5, ANW-56772, MFCD23135264, ZINC32170517, AKOS016001926, DS-3583, FCH2651638, MP-1391, AJ-84874, BBV-43923175, CJ-17905, DA-05354, AX8239336, TC-145517, 4CH-012108, FT-0753338, ST24022603, Z4812, C8H8BrNO, CID584070,

Complexity	149
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
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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