AG00DI1Y

51039-49-7 | 2-Phenyl-2H-1,2,3-triazole

AG00DI1Y

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CAS Number	51039-49-7
Catalog Number	AG00DI1Y(AGN-PC-0LM9XD)
Chemical Name	2-Phenyl-2H-1,2,3-triazole
IUPAC Name	2-phenyltriazole
InChI	InChI=1S/C8H7N3/c1-2-4-8(5-3-1)11-9-6-7-10-11/h1-7H
InChI Key	JYBWAYHAOLQZJX-UHFFFAOYSA-N
MDL Number	MFCD01104764
Molecular Formula	C8H7N3
Molecular Weight	145.1613
SMILES	N1(C2=CC=CC=C2)N=CC=N1
Synonyms	2-phenyl-2H-1,2,3-triazole, 51039-49-7, 2-Phenyl-1,2,3-triazole, 2-phenyltriazole, AK139751, PubChem23682, AC1NNZ9U, SCHEMBL4451027, CTK4J3529, KS-00000PFD, DTXSID20408120, JYBWAYHAOLQZJX-UHFFFAOYSA-N, 2-phenyl-2H-[1,2,3]triazole, ACN-P000838, ZINC5604642, CP-969, MFCD01104764, AKOS015918475, DS-6765, FCH1169086, MCULE-4464454699, ACM51039497, AC-25751, AJ-54394, BC280570, DB-021486, FT-0740817, ST50999005, A828411, I14-8450, 2-Phenyl-2H-l,2,3-triazole, 2H-1,2,3-Triazole, 2-phenyl-, CID5079630,

Complexity	115
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	145.064g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	145.165g/mol
Monoisotopic Mass	145.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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