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130866-82-9 | 2-Pyrimidinamine, 4,6-difluoro-N-propyl-
CAS No: 130866-82-9 Catalog No: AG000V1T MDL No:
Product Description
Catalog Number:
AG000V1T
Chemical Name:
2-Pyrimidinamine, 4,6-difluoro-N-propyl-
CAS Number:
130866-82-9
Molecular Formula:
C7H9F2N3
Molecular Weight:
173.1633
IUPAC Name:
4,6-difluoro-N-propylpyrimidin-2-amine
InChI:
InChI=1S/C7H9F2N3/c1-2-3-10-7-11-5(8)4-6(9)12-7/h4H,2-3H2,1H3,(H,10,11,12)
InChI Key:
ZHCKTFLFPMGSDY-UHFFFAOYSA-N
SMILES:
CCCNc1nc(F)cc(n1)F
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.076g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.167g/mol
Monoisotopic Mass:
173.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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