AG00DLPO

4706-43-8 | 1-BENZYL-1H-BENZOTRIAZOLE

AG00DLPO

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CAS Number	4706-43-8
Catalog Number	AG00DLPO(AGN-PC-03G9C4)
Chemical Name	1-BENZYL-1H-BENZOTRIAZOLE
IUPAC Name	1-benzylbenzotriazole
InChI	InChI=1S/C13H11N3/c1-2-6-11(7-3-1)10-16-13-9-5-4-8-12(13)14-15-16/h1-9H,10H2
InChI Key	OQVSPZZIBWDHOF-UHFFFAOYSA-N
MDL Number	MFCD00227101
Molecular Formula	C13H11N3
Molecular Weight	209.2465
SMILES	N1(CC2=CC=CC=C2)N=NC3=CC=CC=C31
Synonyms	1-Benzyl-1H-benzo[d][1,2,3]triazole, 4706-43-8, 1-Benzylbenzotriazole, 1-Benzyl-1H-benzotriazole, 1-Benzyl-1H-1,2,3-benzotriazole, 1H-Benzotriazole, 1-benzyl-, 1H-Benzotriazole, 1-(phenylmethyl)-, 1-Benzyl-1,2,3-benzotriazole, OQVSPZZIBWDHOF-UHFFFAOYSA-N, [phenylmethyl]-1H-benzotriazole, (Phenylmethyl)-1H-benzotriazole, AC1LAVAA, benzyl-1H-benzotriazole, MLS001008592, AC1Q28Z5, SCHEMBL2734889, CHEMBL1884989, DTXSID90334583, HMS2841L14, 1-(Phenylmethyl)-1H-benzotriazole, ALBB-032313, ZINC2913586, MFCD00227101, AKOS003644443, 1-Benzyl-1H-1,2,3-benzotriazole #, DS-9242, MCULE-7622325307, KS-00000S77, AJ-44303, AK149946, DA-05647, SMR000495838, FT-0750583, ST24037762, CID521212, ZINC02913586,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.095g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.252g/mol
Monoisotopic Mass	209.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	30.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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