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329187-59-9 | 4-((4,6-Dichloropyrimidin-2-yl)amino)benzonitrile
CAS No: 329187-59-9 Catalog No: AG003K1Z MDL No:MFCD11865110
Product Description
Catalog Number:
AG003K1Z
Chemical Name:
4-((4,6-Dichloropyrimidin-2-yl)amino)benzonitrile
CAS Number:
329187-59-9
Molecular Formula:
C11H6Cl2N4
Molecular Weight:
265.0981
MDL Number:
MFCD11865110
IUPAC Name:
4-[(4,6-dichloropyrimidin-2-yl)amino]benzonitrile
InChI:
InChI=1S/C11H6Cl2N4/c12-9-5-10(13)17-11(16-9)15-8-3-1-7(6-14)2-4-8/h1-5H,(H,15,16,17)
InChI Key:
MPEUVAXCNNGXQX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Nc1nc(Cl)cc(n1)Cl
EC Number:
458-150-1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.997g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.097g/mol
Monoisotopic Mass:
263.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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