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15598-33-1 | 2-Pyrimidinamine, 4,6-dichloro-5-fluoro-
CAS No: 15598-33-1 Catalog No: AG001OEM MDL No:MFCD11870221
Product Description
Catalog Number:
AG001OEM
Chemical Name:
2-Pyrimidinamine, 4,6-dichloro-5-fluoro-
CAS Number:
15598-33-1
Molecular Formula:
C4H2Cl2FN3
Molecular Weight:
181.9832
MDL Number:
MFCD11870221
IUPAC Name:
4,6-dichloro-5-fluoropyrimidin-2-amine
InChI:
InChI=1S/C4H2Cl2FN3/c5-2-1(7)3(6)10-4(8)9-2/h(H2,8,9,10)
InChI Key:
PSEWFMLZDMIBMC-UHFFFAOYSA-N
SMILES:
Nc1nc(Cl)c(c(n1)Cl)F
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.961g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.979g/mol
Monoisotopic Mass:
180.961g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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