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306977-91-3 | 3-Pyridinecarbonitrile, 2-chloro-6-(4-methoxyphenyl)-
CAS No: 306977-91-3 Catalog No: AG0030ZF MDL No:MFCD00215274
Product Description
Catalog Number:
AG0030ZF
Chemical Name:
3-Pyridinecarbonitrile, 2-chloro-6-(4-methoxyphenyl)-
CAS Number:
306977-91-3
Molecular Formula:
C13H9ClN2O
Molecular Weight:
244.6764
MDL Number:
MFCD00215274
IUPAC Name:
2-chloro-6-(4-methoxyphenyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C13H9ClN2O/c1-17-11-5-2-9(3-6-11)12-7-4-10(8-15)13(14)16-12/h2-7H,1H3
InChI Key:
PELDIRQBLYTDBQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1ccc(c(n1)Cl)C#N
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.678g/mol
Monoisotopic Mass:
244.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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