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1221271-90-4 | 3-Pyridinecarbonitrile, 6-[(2,4-difluorophenyl)amino]-2-formyl-
CAS No: 1221271-90-4 Catalog No: AG0016TI MDL No:
Product Description
Catalog Number:
AG0016TI
Chemical Name:
3-Pyridinecarbonitrile, 6-[(2,4-difluorophenyl)amino]-2-formyl-
CAS Number:
1221271-90-4
Molecular Formula:
C13H7F2N3O
Molecular Weight:
259.2110
IUPAC Name:
6-(2,4-difluoroanilino)-2-formylpyridine-3-carbonitrile
InChI:
InChI=1S/C13H7F2N3O/c14-9-2-3-11(10(15)5-9)17-13-4-1-8(6-16)12(7-19)18-13/h1-5,7H,(H,17,18)
InChI Key:
WKZDDIVPJMGPSM-UHFFFAOYSA-N
SMILES:
O=Cc1nc(ccc1C#N)Nc1ccc(cc1F)F
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.216g/mol
Monoisotopic Mass:
259.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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