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1172930-59-4 | Pyrido[4,3-d]pyrimidine, 2,4-dichloro-5,6,7,8-tetrahydro-, 2,2,2-trifluoroacetate (1:1)
CAS No: 1172930-59-4 Catalog No: AG000E22 MDL No:
Product Description
Catalog Number:
AG000E22
Chemical Name:
Pyrido[4,3-d]pyrimidine, 2,4-dichloro-5,6,7,8-tetrahydro-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
1172930-59-4
Molecular Formula:
C9H8Cl2F3N3O2
Molecular Weight:
318.0799
IUPAC Name:
2,4-dichloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C7H7Cl2N3.C2HF3O2/c8-6-4-3-10-2-1-5(4)11-7(9)12-6;3-2(4,5)1(6)7/h10H,1-3H2;(H,6,7)
InChI Key:
OTOVSBJMRBPQKN-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.Clc1nc2CCNCc2c(n1)Cl
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.995g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.077g/mol
Monoisotopic Mass:
316.995g/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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