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1398507-08-8 | Benzonitrile, 4-[(4-amino-6-chloro-2-pyrimidinyl)amino]-
CAS No: 1398507-08-8 Catalog No: AG001BQI MDL No:MFCD24682776
Product Description
Catalog Number:
AG001BQI
Chemical Name:
Benzonitrile, 4-[(4-amino-6-chloro-2-pyrimidinyl)amino]-
CAS Number:
1398507-08-8
Molecular Formula:
C11H8ClN5
Molecular Weight:
245.6677
MDL Number:
MFCD24682776
IUPAC Name:
4-[(4-amino-6-chloropyrimidin-2-yl)amino]benzonitrile
InChI:
InChI=1S/C11H8ClN5/c12-9-5-10(14)17-11(16-9)15-8-3-1-7(6-13)2-4-8/h1-5H,(H3,14,15,16,17)
InChI Key:
WIFUACDBVMFQGM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Nc1nc(N)cc(n1)Cl
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.67g/mol
Monoisotopic Mass:
245.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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