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1628557-01-6 | Pyrido[4,3-d]pyrimidine, 5,6,7,8-tetrahydro-, 2,2,2-trifluoroacetate (1:1)
CAS No: 1628557-01-6 Catalog No: AG001THW MDL No:MFCD19706070
Product Description
Catalog Number:
AG001THW
Chemical Name:
Pyrido[4,3-d]pyrimidine, 5,6,7,8-tetrahydro-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
1628557-01-6
Molecular Formula:
C9H10F3N3O2
Molecular Weight:
249.1898
MDL Number:
MFCD19706070
IUPAC Name:
5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C7H9N3.C2HF3O2/c1-2-8-3-6-4-9-5-10-7(1)6;3-2(4,5)1(6)7/h4-5,8H,1-3H2;(H,6,7)
InChI Key:
ZWLYLYDIIOBBGR-UHFFFAOYSA-N
SMILES:
C1NCc2c(C1)ncnc2.OC(=O)C(F)(F)F
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.193g/mol
Monoisotopic Mass:
249.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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