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Home > Fluorides > 911636-86-7
911636-86-7 | 5,6,7,8-Tetrahydro-2,4-bis(trifluoromethyl)pyrido[3,4-d]pyrimidine monohydrochloride
CAS No: 911636-86-7 Catalog No: AG003A0M MDL No:
Product Description
Catalog Number:
AG003A0M
Chemical Name:
5,6,7,8-Tetrahydro-2,4-bis(trifluoromethyl)pyrido[3,4-d]pyrimidine monohydrochloride
CAS Number:
911636-86-7
Molecular Formula:
C9H8ClF6N3
Molecular Weight:
307.6233
IUPAC Name:
2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
InChI:
InChI=1S/C9H7F6N3.ClH/c10-8(11,12)6-4-1-2-16-3-5(4)17-7(18-6)9(13,14)15;/h16H,1-3H2;1H
InChI Key:
NFEZOYIKZXDOAJ-UHFFFAOYSA-N
SMILES:
FC(c1nc2CNCCc2c(n1)C(F)(F)F)(F)F.Cl
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.031g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.624g/mol
Monoisotopic Mass:
307.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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