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1805481-71-3 | 2-Pyrimidinamine, 5-chloro-4-(trifluoromethyl)-
CAS No: 1805481-71-3 Catalog No: AG00222N MDL No:MFCD27922709
Product Description
Catalog Number:
AG00222N
Chemical Name:
2-Pyrimidinamine, 5-chloro-4-(trifluoromethyl)-
CAS Number:
1805481-71-3
Molecular Formula:
C5H3ClF3N3
Molecular Weight:
197.5456
MDL Number:
MFCD27922709
IUPAC Name:
5-chloro-4-(trifluoromethyl)pyrimidin-2-amine
InChI:
InChI=1S/C5H3ClF3N3/c6-2-1-11-4(10)12-3(2)5(7,8)9/h1H,(H2,10,11,12)
InChI Key:
CTRPXMJZFLNZKW-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)C(F)(F)F)Cl
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.997g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.545g/mol
Monoisotopic Mass:
196.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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