AG000RSL

1261493-38-2 | 3-Pyridinecarbonitrile, 4-chloro-6-methoxy-

AG000RSL

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CAS Number	1261493-38-2
Catalog Number	AG000RSL(AGN-PC-0WNRPH)
Chemical Name	3-Pyridinecarbonitrile, 4-chloro-6-methoxy-
IUPAC Name	4-chloro-6-methoxypyridine-3-carbonitrile
InChI	InChI=1S/C7H5ClN2O/c1-11-7-2-6(8)5(3-9)4-10-7/h2,4H,1H3
InChI Key	VEUHIOALPSVHJH-UHFFFAOYSA-N
MDL Number	MFCD18415526
Molecular Formula	C7H5ClN2O
Molecular Weight	168.5804
SMILES	N#CC1=CN=C(OC)C=C1Cl
Synonyms	1261493-38-2, 4-chloro-6-methoxynicotinonitrile, 4-chloro-6-methoxypyridine-3-carbonitrile, 4-Chloro-6-methoxy-nicotinonitrile, 3-Pyridinecarbonitrile, 4-chloro-6-methoxy-, SCHEMBL1485361, KS-00001APS, VEUHIOALPSVHJH-UHFFFAOYSA-N, 4-Chloro-5-cyano-2-methoxypyridine, MFCD18415526, ZINC79066655, AKOS022189256, NE47823, 3-Pyridinecarbonitrile,4-chloro-6-methoxy-, AJ-123096, CS-0039126, A1-10070,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.009g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.58g/mol
Monoisotopic Mass	168.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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