AG0037B4

36650-74-5 | 1H-Pyrazole-3-carbonitrile

AG0037B4

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CAS Number	36650-74-5
Catalog Number	AG0037B4(AGN-PC-0O9DAP)
Chemical Name	1H-Pyrazole-3-carbonitrile
IUPAC Name	1H-pyrazole-5-carbonitrile
InChI	InChI=1S/C4H3N3/c5-3-4-1-2-6-7-4/h1-2H,(H,6,7)
InChI Key	YMJLEPMVGQBLHL-UHFFFAOYSA-N
MDL Number	MFCD08669496
Molecular Formula	C4H3N3
Molecular Weight	93.0867
SMILES	N1N=C(C=C1)C#N
Synonyms	1H-pyrazole-3-carbonitrile, 36650-74-5, 1h-pyrazole-5-carbonitrile, 3-Cyanopyrazole, 761414-68-0, pyrazole-3-carbonitrile, 33064-34-5, MFCD08669496, cyanopyrazole, 5-cyanopyrazole, 3-cyano-1H-pyrazole, PubChem14331, ACMC-1AJJN, CTK4H6957, YMJLEPMVGQBLHL-UHFFFAOYSA-N, ALBB-029030, BCP26277, KS-00000MB1, ANW-28458, SBB055854, STL414994, ZINC14684056, AKOS005169527, AKOS012378885, CS-W019604, MCULE-5137512901, QC-3417, RP00374, AC-23225, AJ-65297, AJ-65298, AK-30564, BL003372, BR-30564, CJ-14616, SC-23585, AB0024499, DB-069420, ST2415519, TC-064439, 4CH-014553, A6324, AM20090586, BB 0257079, FT-0647062, FT-0648904, ST45256068, W5786, S-4221, I11-0299, J-504724, C4H3N3, CB11158,

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	93.033g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	93.089g/mol
Monoisotopic Mass	93.033g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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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