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1261493-38-2 | 3-Pyridinecarbonitrile, 4-chloro-6-methoxy-
CAS No: 1261493-38-2 Catalog No: AG000RSL MDL No:MFCD18415526
Product Description
Catalog Number:
AG000RSL
Chemical Name:
3-Pyridinecarbonitrile, 4-chloro-6-methoxy-
CAS Number:
1261493-38-2
Molecular Formula:
C7H5ClN2O
Molecular Weight:
168.5804
MDL Number:
MFCD18415526
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
SMILES:
COc1ncc(c(c1)Cl)C#N
Properties
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
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