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139041-05-7 | 4-Pyrimidinamine, 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-
CAS No: 139041-05-7 Catalog No: AG001A31 MDL No:
Product Description
Catalog Number:
AG001A31
Chemical Name:
4-Pyrimidinamine, 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-
CAS Number:
139041-05-7
Molecular Formula:
C17H13Cl2N3
Molecular Weight:
330.2112
IUPAC Name:
5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]pyrimidin-4-amine
InChI:
InChI=1S/C17H13Cl2N3/c18-13-5-1-11(2-6-13)9-16-21-10-15(17(20)22-16)12-3-7-14(19)8-4-12/h1-8,10H,9H2,(H2,20,21,22)
InChI Key:
MVANHUKEMBLZEJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Cc1ncc(c(n1)N)c1ccc(cc1)Cl
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.049g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.212g/mol
Monoisotopic Mass:
329.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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