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175137-09-4 | 2,4-Pyrimidinediamine, 6-(4-chlorophenyl)-
CAS No: 175137-09-4 Catalog No: AG0020BC MDL No:MFCD00068134
Product Description
Catalog Number:
AG0020BC
Chemical Name:
2,4-Pyrimidinediamine, 6-(4-chlorophenyl)-
CAS Number:
175137-09-4
Molecular Formula:
C10H9ClN4
Molecular Weight:
220.6583
MDL Number:
MFCD00068134
IUPAC Name:
6-(4-chlorophenyl)pyrimidine-2,4-diamine
InChI:
InChI=1S/C10H9ClN4/c11-7-3-1-6(2-4-7)8-5-9(12)15-10(13)14-8/h1-5H,(H4,12,13,14,15)
InChI Key:
RGQMMCAWKASJGS-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cc(N)nc(n1)N
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.66g/mol
Monoisotopic Mass:
220.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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