AG002S0Q

26173-92-2 | 1H-Pyrrole-2-carbonitrile, 5-methyl-

AG002S0Q

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CAS Number	26173-92-2
Catalog Number	AG002S0Q(AGN-PC-0JT2JR)
Chemical Name	1H-Pyrrole-2-carbonitrile, 5-methyl-
IUPAC Name	5-methyl-1H-pyrrole-2-carbonitrile
InChI	InChI=1S/C6H6N2/c1-5-2-3-6(4-7)8-5/h2-3,8H,1H3
InChI Key	LHTWORABVYVKEC-UHFFFAOYSA-N
MDL Number	MFCD12923808
Molecular Formula	C6H6N2
Molecular Weight	106.1252
SMILES	CC1=CC=C(N1)C#N
Synonyms	5-Methyl-1H-pyrrole-2-carbonitrile, 26173-92-2, 1H-Pyrrole-2-carbonitrile, 5-methyl-, LHTWORABVYVKEC-UHFFFAOYSA-N, 2-cyano-5-methylpyrrole, AC1LC6YD, 2-cyano-5-methyl-pyrrole, 2-Cyano-5-methyl-1H-pyrrole, SCHEMBL6789604, CTK0J3489, DTXSID60341143, 2253AB, ANW-70084, MFCD12923808, ZINC59270626, AKOS005138258, 5-Methyl-1H-pyrrole-2-carbonitrile #, QC-9570, (1H)Pyrrole-2-carbonitrile, 5-methyl-, AS-33304, CJ-20862, AB0053649, AJ-113425, TC-158829, ST24024139, Y-7315, C6H6N2, CID570605,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	106.053g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	106.128g/mol
Monoisotopic Mass	106.053g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	39.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 3439

Certificate of Analysis

Lot Number