AG000LGQ

1240518-54-0 | 1H-Indazole-4-carbonitrile, 3-amino-

AG000LGQ

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CAS Number	1240518-54-0
Catalog Number	AG000LGQ(AGN-PC-0A1SBR)
Chemical Name	1H-Indazole-4-carbonitrile, 3-amino-
IUPAC Name	3-amino-1H-indazole-4-carbonitrile
InChI	InChI=1S/C8H6N4/c9-4-5-2-1-3-6-7(5)8(10)12-11-6/h1-3H,(H3,10,11,12)
InChI Key	KVXRKRURRSOVSJ-UHFFFAOYSA-N
MDL Number	MFCD20486223
Molecular Formula	C8H6N4
Molecular Weight	158.1600
SMILES	NC1=NNC2=CC=CC(C#N)=C12
Synonyms	3-Amino-1H-indazole-4-carbonitrile, 1240518-54-0, AK100766, 3zly, SCHEMBL186113, CHEMBL2391619, CTK8C3317, KS-00000QVE, DTXSID20708410, KVXRKRURRSOVSJ-UHFFFAOYSA-N, ANW-69944, MFCD20486223, ZINC82046794, AKOS016001933, FCH1309467, FS-3626, MP-1413, CJ-22047, AJ-124489, AX8241687, TC-158689, 4CH-012228, CS-0043919, FT-0754817, ST24022645, Z4012, YSO, C8H6N4,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	158.164g/mol
Monoisotopic Mass	158.059g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	78.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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