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147619-40-7 | 3-Pyridinecarbonitrile, 5-chloro-1,2-dihydro-4-methoxy-2-oxo-
CAS No: 147619-40-7 Catalog No: AG001F0Y MDL No:MFCD07368155
Product Description
Catalog Number:
AG001F0Y
Chemical Name:
3-Pyridinecarbonitrile, 5-chloro-1,2-dihydro-4-methoxy-2-oxo-
CAS Number:
147619-40-7
Molecular Formula:
C7H5ClN2O2
Molecular Weight:
184.5798
MDL Number:
MFCD07368155
IUPAC Name:
5-chloro-4-methoxy-2-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C7H5ClN2O2/c1-12-6-4(2-9)7(11)10-3-5(6)8/h3H,1H3,(H,10,11)
InChI Key:
NSFMNXCAJNVYKF-UHFFFAOYSA-N
SMILES:
COc1c(Cl)c[nH]c(=O)c1C#N
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.579g/mol
Monoisotopic Mass:
184.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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