AG00BF6T

31250-99-4 | 1-Trityl-1H-1,2,4-triazole

AG00BF6T

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CAS Number	31250-99-4
Catalog Number	AG00BF6T(AGN-PC-03FSN6)
Chemical Name	1-Trityl-1H-1,2,4-triazole
IUPAC Name	1-trityl-1,2,4-triazole
InChI	InChI=1S/C21H17N3/c1-4-10-18(11-5-1)21(24-17-22-16-23-24,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChI Key	HAGYXNVNFOULKK-UHFFFAOYSA-N
MDL Number	MFCD00962178
Molecular Formula	C21H17N3
Molecular Weight	311.3798
SMILES	N1(C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N=CN=C1
Synonyms	1-Trityl-1H-1,2,4-triazole, 31250-99-4, 1-trityl-1,2,4-triazole, 1-(TRIPHENYLMETHYL)-1H-1,2,4-TRIAZOLE, AK142992, AC1NE8GA, CHEMBL557215, SCHEMBL1563373, KS-00000RXV, DTXSID00405071, HAGYXNVNFOULKK-UHFFFAOYSA-N, CS-D0110, ZINC8380994, MFCD00962178, AKOS022175659, AB07808, DS-7604, AJ-57522, AX8282557, InChI=1/C21H17N3/c1-4-10-18(11-5-1)21(24-17-22-16-23-24,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17, CID4638251,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	311.142g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	311.388g/mol
Monoisotopic Mass	311.142g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	30.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

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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