AG009TIU

108244-44-6 | 2-Chloro-6-isopropylnicotinonitrile

AG009TIU

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CAS Number	108244-44-6
Catalog Number	AG009TIU(AGN-PC-07H7VD)
Chemical Name	2-Chloro-6-isopropylnicotinonitrile
IUPAC Name	2-chloro-6-propan-2-ylpyridine-3-carbonitrile
InChI	InChI=1S/C9H9ClN2/c1-6(2)8-4-3-7(5-11)9(10)12-8/h3-4,6H,1-2H3
InChI Key	KZXQCYPAMGNZPE-UHFFFAOYSA-N
MDL Number	MFCD14581659
Molecular Formula	C9H9ClN2
Molecular Weight	180.6342
SMILES	CC(C)C1=NC(=C(C=C1)C#N)Cl
Synonyms	2-chloro-6-isopropylnicotinonitrile, 108244-44-6, 2-Chloro-6-(propan-2-yl)pyridine-3-carbonitrile, chloroisopropylnicotinonitrile, 2-chloro-6-(1-methylethyl)-3-pyridinecarbonitrile, SCHEMBL4760466, CTK7C8258, DTXSID30670654, KZXQCYPAMGNZPE-UHFFFAOYSA-N, 8462AC, MFCD14581659, SBB089736, ZINC40564746, AKOS005073611, MCULE-3795253432, MD-0726, RP10893, KS-000027P2, 2-chloro-6-isopropylpyridine-3-carbonitrile, AJ-103527, TR-070749, Y-7442, 2-chloro-6-(methylethyl)pyridine-3-carbonitrile, 2-Chloro-6-isopropylnicotinonitrile, AldrichCPR, J-508946, C9H9ClN2,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.045g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.635g/mol
Monoisotopic Mass	180.045g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	36.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number