AG003ELO

13423-60-4 | 1-Phenyl-1H-1,2,4-triazole

AG003ELO

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CAS Number	13423-60-4
Catalog Number	AG003ELO(AGN-PC-0JLUJ0)
Chemical Name	1-Phenyl-1H-1,2,4-triazole
IUPAC Name	1-phenyl-1,2,4-triazole
InChI	InChI=1S/C8H7N3/c1-2-4-8(5-3-1)11-7-9-6-10-11/h1-7H
InChI Key	CGRLXLHYYDSTKR-UHFFFAOYSA-N
MDL Number	MFCD01076193
Molecular Formula	C8H7N3
Molecular Weight	145.1613
NSC Number	609753
SMILES	C1=NN(C=N1)C1=CC=CC=C1
Synonyms	1-Phenyl-1H-1,2,4-triazole, 13423-60-4, 1-phenyl-1,2,4-triazole, 1H-1,2,4-Triazole, 1-phenyl-, 1-phenyl-1H-[1,2,4]triazole, TCMDC-124291, BRN 0116495, CHEBI:38967, CGRLXLHYYDSTKR-UHFFFAOYSA-N, AK-81493, NSC609753, PubChem23693, 5-26-01-00147 (Beilstein Handbook Reference), AC1L35F9, CHEMBL529209, SCHEMBL1009561, 1-Phenyl-1, 2, 4-triazole, CTK4B9048, DTXSID70158603, 1H-1,2,4-Triazole,1-phenyl-, ACN-P000827, CS-D0491, KS-000001MY, ZINC1611276, 6173AA, ANW-58505, FCH842964, MFCD01076193, AKOS006275564, NSC-609753, AJ-28235, DA-16783, DS-16235, AX8221855, LS-156088, TC-147250, FT-0750329, I14-7810, C8H7N3, C8-H7-N3, CID83432,

Complexity	121
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	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number