AG00CK6Q

4231-62-3 | 1-BENZOYL-1H-BENZOTRIZOLE 97

AG00CK6Q

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CAS Number	4231-62-3
Catalog Number	AG00CK6Q(AGN-PC-0WD2UM)
Chemical Name	1-BENZOYL-1H-BENZOTRIZOLE 97
IUPAC Name	benzotriazol-1-yl(phenyl)methanone
InChI	InChI=1S/C13H9N3O/c17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14-15-16/h1-9H
InChI Key	UJEMOXPSTTXLRE-UHFFFAOYSA-N
MDL Number	MFCD00451114
Molecular Formula	C13H9N3O
Molecular Weight	223.2301
SMILES	O=C(N1N=NC2=CC=CC=C21)C3=CC=CC=C3
Synonyms	4231-62-3, 1-Benzoyl-1H-benzotriazole, (1H-Benzo[d][1,2,3]triazol-1-yl)(phenyl)methanone, 1-Benzoylbenzotriazole, Benzotriazol-1-yl-phenyl-methanone, MLS000529214, benzotriazol-1-yl(phenyl)methanone, SMR000121689, 1H-Benzotriazole, 1-benzoyl-, Methanone,1H-benzotriazol-1-ylphenyl-, N-Benzoylbenzotriazolen, BAS 00626256, AC1LC5UK, AC1Q5KEY, 1-benzoyl-1H-benzotrizole, benzotriazolyl phenyl ketone, cid_570059, SCHEMBL2493561, CHEMBL1288725, 1-benzotriazolyl(phenyl)methanone, BDBM32701, CTK4I6028, DTXSID30341099, UJEMOXPSTTXLRE-UHFFFAOYSA-N, HMS1693P08, ZINC101721, 1-Benzoyl-1H-benzotriazole, 97%, MFCD00451114, STK018512, 1H-benzotriazol-1-yl(phenyl)methanone, AKOS000673400, MCULE-9739030857, 1-Benzoyl-1H-1,2,3-benzotriazole #, 1-BENZOYL-1H-BENZOTRIZOLE 97, AJ-11109, SC-65910, ST010702, AX8258711, 1H-1,2,3-benzotriazol-1-yl(phenyl)methanone, SR-01000393867, SR-01000393867-1, BRD-K38804290-001-08-8, I01-17099, C13H9N3O, 1-BENZOYL-1H-BENZOTRIZOLE97, AR-1C1644, CID570059, 42806-77-9,

Complexity	288
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.075g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	223.235g/mol
Monoisotopic Mass	223.075g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	47.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number