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137225-10-6 | 4-Pyridinecarbonitrile, 2-[(3-fluorophenyl)amino]-
CAS No: 137225-10-6 Catalog No: AG0012ZC MDL No:
Product Description
Catalog Number:
AG0012ZC
Chemical Name:
4-Pyridinecarbonitrile, 2-[(3-fluorophenyl)amino]-
CAS Number:
137225-10-6
Molecular Formula:
C12H8FN3
Molecular Weight:
213.2104
IUPAC Name:
2-(3-fluoroanilino)pyridine-4-carbonitrile
InChI:
InChI=1S/C12H8FN3/c13-10-2-1-3-11(7-10)16-12-6-9(8-14)4-5-15-12/h1-7H,(H,15,16)
InChI Key:
XDUVGEVCPOBLSD-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)Nc1cccc(c1)F
Properties
Complexity:
273
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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