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1256835-79-6 | 3-Pyridinecarbonitrile, 6-chloro-5-methoxy-
CAS No: 1256835-79-6 Catalog No: AG000OHF MDL No:MFCD18071080
Product Description
Catalog Number:
AG000OHF
Chemical Name:
3-Pyridinecarbonitrile, 6-chloro-5-methoxy-
CAS Number:
1256835-79-6
Molecular Formula:
C7H5ClN2O
Molecular Weight:
168.5804
MDL Number:
MFCD18071080
IUPAC Name:
6-chloro-5-methoxypyridine-3-carbonitrile
InChI:
InChI=1S/C7H5ClN2O/c1-11-6-2-5(3-9)4-10-7(6)8/h2,4H,1H3
InChI Key:
CDFREORPCCHPKC-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)cnc1Cl
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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