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137225-11-7 | 4-Pyridinecarbonitrile, 2-[(4-fluorophenyl)amino]-
CAS No: 137225-11-7 Catalog No: AG0012ZB MDL No:MFCD09943557
Product Description
Catalog Number:
AG0012ZB
Chemical Name:
4-Pyridinecarbonitrile, 2-[(4-fluorophenyl)amino]-
CAS Number:
137225-11-7
Molecular Formula:
C12H8FN3
Molecular Weight:
213.2104
MDL Number:
MFCD09943557
IUPAC Name:
2-(4-fluoroanilino)pyridine-4-carbonitrile
InChI:
InChI=1S/C12H8FN3/c13-10-1-3-11(4-2-10)16-12-7-9(8-14)5-6-15-12/h1-7H,(H,15,16)
InChI Key:
BYPSOTBKPIKIBD-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)Nc1ccc(cc1)F
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.215g/mol
Monoisotopic Mass:
213.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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