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911784-15-1 | 5,6,7,8-Tetrahydro-2,4-bis(trifluoromethyl)pyrido[3,4-d]pyrimidine
CAS No: 911784-15-1 Catalog No: AG003AQK MDL No:
Product Description
Catalog Number:
AG003AQK
Chemical Name:
5,6,7,8-Tetrahydro-2,4-bis(trifluoromethyl)pyrido[3,4-d]pyrimidine
CAS Number:
911784-15-1
Molecular Formula:
C9H7F6N3
Molecular Weight:
271.1624
IUPAC Name:
2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
InChI:
InChI=1S/C9H7F6N3/c10-8(11,12)6-4-1-2-16-3-5(4)17-7(18-6)9(13,14)15/h16H,1-3H2
InChI Key:
ZTDOMMMGAAARKM-UHFFFAOYSA-N
SMILES:
FC(c1nc2CNCCc2c(n1)C(F)(F)F)(F)F
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.166g/mol
Monoisotopic Mass:
271.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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