AG00501W

827316-44-9 | 3-Iodo-1H-pyrazole-4-carbonitrile

AG00501W

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CAS Number	827316-44-9
Catalog Number	AG00501W(AGN-PC-0OIQC5)
Chemical Name	3-Iodo-1H-pyrazole-4-carbonitrile
IUPAC Name	5-iodo-1H-pyrazole-4-carbonitrile
InChI	InChI=1S/C4H2IN3/c5-4-3(1-6)2-7-8-4/h2H,(H,7,8)
InChI Key	JEISIEQLHQZCOF-UHFFFAOYSA-N
MDL Number	MFCD22393462
Molecular Formula	C4H2IN3
Molecular Weight	218.9832
SMILES	C(#N)c1c(I)n[nH]c1
Synonyms	3-Iodo-1H-pyrazole-4-carbonitrile, 827316-44-9, 5-iodo-1H-pyrazole-4-carbonitrile, AK100937, 1H-Pyrazole-4-carbonitrile, 3-iodo-, SCHEMBL5754828, CTK3D7176, DTXSID40740817, JEISIEQLHQZCOF-UHFFFAOYSA-N, 2782AC, ANW-69790, MFCD22393462, ZINC82046846, AKOS016001892, CS-W021941, DS-3652, FCH1634468, SB18648, KS-000006A8, AJ-124541, AX8241843, TC-158535, 4CH-012249, ST24022914, EN300-255489, C4H2IN3,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.929g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.985g/mol
Monoisotopic Mass	218.929g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number