AG003J41

22726-00-7 | Benzamide, 3-​bromo-

AG003J41

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CAS Number	22726-00-7
Catalog Number	AG003J41(AGN-PC-0JLY8N)
Chemical Name	Benzamide, 3-​bromo-
IUPAC Name	3-bromobenzamide
InChI	InChI=1S/C7H6BrNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
InChI Key	ODJFDWIECLJWSR-UHFFFAOYSA-N
MDL Number	MFCD00017127
Molecular Formula	C7H6BrNO
Molecular Weight	200.0326
NSC Number	81217
SMILES	C(=O)(N)c1cc(Br)ccc1
UNII	694N917Z7T
Synonyms	3-Bromobenzamide, 22726-00-7, m-Bromobenzamide, Benzamide, 3-bromo-, 3-Bromo-benzamide, Benzamide, m-bromo-, 3-(Carbamoyl)bromobenzene, CHEMBL122690, UNII-694N917Z7T, MFCD00017127, 694N917Z7T, 3-bromanylbenzamide, PubChem3734, 3-bromophenylcarboxamide, ACMC-209fyc, AC1L3INC, AC1Q5DAA, 3-Bromobenzoic acid amide, KSC205C2N, SCHEMBL163949, DTXSID5022277, SCHEMBL16803128, CTK1A5126, TIMTEC-BB SBB009893, ODJFDWIECLJWSR-UHFFFAOYSA-N, OTAVA-BB 1375913, ZINC393845, KS-00000B9B, NSC81217, ANW-24946, BDBM50106197, NSC-81217, SBB009893, AKOS000193862, AS00919, CS-W021882, MB00265, MCULE-1762915886, PS-3519, RTR-010665, TRA0014010, AJ-21316, AK-61366, BC002541, BR-61366, CJ-03599, SC-49019, ST059638, SY020170, ZB012293, AB0023564, LS-184973, ST2410576, TR-010665, FT-0615195, W4642, B-8014, MFCD00017127 (97+%), A816327, AC-907/41484593, I01-16588, C7H6BrNO, (Phenylsulfonimidoyl)benzene, C7-H6-Br-N-O, CID89807, 3-Bromobenzamide, 98% - 1G 1g, AR-1F2287, ACN-040232, B5178, 23274-77-3,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.963g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	200.035g/mol
Monoisotopic Mass	198.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number