AG002ORR

24611-70-9 | 1H-Benzotriazole-6-carbonitrile

AG002ORR

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CAS Number	24611-70-9
Catalog Number	AG002ORR(AGN-PC-0O87CV)
Chemical Name	1H-Benzotriazole-6-carbonitrile
IUPAC Name	2H-benzotriazole-5-carbonitrile
InChI	InChI=1S/C7H4N4/c8-4-5-1-2-6-7(3-5)10-11-9-6/h1-3H,(H,9,10,11)
InChI Key	OEBMOZBCDOBXAN-UHFFFAOYSA-N
MDL Number	MFCD08669484
Molecular Formula	C7H4N4
Molecular Weight	144.1335
SMILES	N#CC1=CC=C(NN=N2)C2=C1
Synonyms	24611-70-9, 1H-1,2,3-Benzotriazole-5-carbonitrile, 1H-Benzo[d][1,2,3]triazole-5-carbonitrile, 1H-benzotriazole-5-carbonitrile, 1H-Benzotriazole-6-carbonitrile, 2H-benzotriazole-5-carbonitrile, OEBMOZBCDOBXAN-UHFFFAOYSA-N, benzotriazole-5-carbonitrile, 6-cyano-benzotriazole, ACMC-1CCWD, 6-cyano-1H-benzotriazole, SCHEMBL203218, CTK1A1546, DTXSID30548081, ZINC2524667, ANW-25491, MFCD08669484, SBB019419, STK661396, AKOS005531211, 1H-1,2,3-benzotriazol-5-yl cyanide, AB45860, MCULE-1201484665, AJ-37315, CJ-08796, ST097796, ST2415492, TC-114236, V4642, Y-4014, Z2065788182, C7H4N4, (4,6,7-TRIMETHYL-1-BENZOFURAN-3-YL)ACETIC ACID,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.044g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	144.137g/mol
Monoisotopic Mass	144.044g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	65.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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