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130707-32-3 | 3-Pyridinecarbonitrile, 2-amino-4-[(4-chlorophenyl)amino]-
CAS No: 130707-32-3 Catalog No: AG000UTT MDL No:
Product Description
Catalog Number:
AG000UTT
Chemical Name:
3-Pyridinecarbonitrile, 2-amino-4-[(4-chlorophenyl)amino]-
CAS Number:
130707-32-3
Molecular Formula:
C12H9ClN4
Molecular Weight:
244.6797
IUPAC Name:
2-amino-4-(4-chloroanilino)pyridine-3-carbonitrile
InChI:
InChI=1S/C12H9ClN4/c13-8-1-3-9(4-2-8)17-11-5-6-16-12(15)10(11)7-14/h1-6H,(H3,15,16,17)
InChI Key:
XEKCWFOWFZFELV-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccnc1N)Nc1ccc(cc1)Cl
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.682g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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