2,4-Bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido-[3,4-d]pyrimidine hydrochloride - CAS 911636-86-7
Catalog: |
BB042537 |
Product Name: |
2,4-Bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido-[3,4-d]pyrimidine hydrochloride |
CAS: |
911636-86-7 |
Synonyms: |
2,4-Bis(trifluoromethyl)-5H,6H,7H,8H-pyrido-[3,4-d]pyrimidine hydrochloride; SCHEMBL1261973 |
IUPAC Name: | 2,4-bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride |
Description: | 2,4-Bis(trifluoromethyl)-5,6,7,8-tetrahydropyrido-[3,4-d]pyrimidine hydrochloride (CAS# 911636-86-7 ) is a useful research chemical. |
Molecular Weight: | 307.62 |
Molecular Formula: | C9H8ClF6N3 |
Canonical SMILES: | C1CNCC2=C1C(=NC(=N2)C(F)(F)F)C(F)(F)F.Cl |
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 |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 307.0310939 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.0310939 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 37.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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