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1053657-04-7 | 2-(4-Chlorophenyl)amino-4-phenylpyrimidine
CAS No: 1053657-04-7 Catalog No: AG01FB54 MDL No:
Product Description
Catalog Number:
AG01FB54
Chemical Name:
2-(4-Chlorophenyl)amino-4-phenylpyrimidine
CAS Number:
1053657-04-7
Molecular Formula:
C16H12ClN3
Molecular Weight:
281.7396
IUPAC Name:
N-(4-chlorophenyl)-4-phenylpyrimidin-2-amine
InChI:
InChI=1S/C16H12ClN3/c17-13-6-8-14(9-7-13)19-16-18-11-10-15(20-16)12-4-2-1-3-5-12/h1-11H,(H,18,19,20)
InChI Key:
IGRVZTGEKVVKAP-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Nc1nccc(n1)c1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.072g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.743g/mol
Monoisotopic Mass:
281.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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