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147992-80-1 | 3-Pyridinecarbonitrile, 2-chloro-4-(dimethylamino)-
CAS No: 147992-80-1 Catalog No: AG001FCF MDL No:MFCD00563985
Product Description
Catalog Number:
AG001FCF
Chemical Name:
3-Pyridinecarbonitrile, 2-chloro-4-(dimethylamino)-
CAS Number:
147992-80-1
Molecular Formula:
C8H8ClN3
Molecular Weight:
181.6222
MDL Number:
MFCD00563985
IUPAC Name:
2-chloro-4-(dimethylamino)pyridine-3-carbonitrile
InChI:
InChI=1S/C8H8ClN3/c1-12(2)7-3-4-11-8(9)6(7)5-10/h3-4H,1-2H3
InChI Key:
CAMVNWAYWUPMTI-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nccc1N(C)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.623g/mol
Monoisotopic Mass:
181.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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