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1197953-49-3 | 4-Pyrimidinamine, 2,5-dichloro-N-[2-(dimethylphosphinyl)phenyl]-
CAS No: 1197953-49-3 Catalog No: AG000PNK MDL No:MFCD28016280
Product Description
Catalog Number:
AG000PNK
Chemical Name:
4-Pyrimidinamine, 2,5-dichloro-N-[2-(dimethylphosphinyl)phenyl]-
CAS Number:
1197953-49-3
Molecular Formula:
C12H12Cl2N3OP
Molecular Weight:
316.1229
MDL Number:
MFCD28016280
IUPAC Name:
2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine
InChI:
InChI=1S/C12H12Cl2N3OP/c1-19(2,18)10-6-4-3-5-9(10)16-11-8(13)7-15-12(14)17-11/h3-7H,1-2H3,(H,15,16,17)
InChI Key:
XIKUAKVCJMVXCI-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(n1)Nc1ccccc1P(=O)(C)C)Cl
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.01g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.122g/mol
Monoisotopic Mass:
315.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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