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1628317-85-0 | Thieno[2,3-d]pyrimidine, 4-chloro-6-(2,2,2-trifluoroethyl)-
CAS No: 1628317-85-0 Catalog No: AG001TG4 MDL No:MFCD28506297
Product Description
Catalog Number:
AG001TG4
Chemical Name:
Thieno[2,3-d]pyrimidine, 4-chloro-6-(2,2,2-trifluoroethyl)-
CAS Number:
1628317-85-0
Molecular Formula:
C8H4ClF3N2S
Molecular Weight:
252.6440
MDL Number:
MFCD28506297
IUPAC Name:
4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
InChI:
InChI=1S/C8H4ClF3N2S/c9-6-5-1-4(2-8(10,11)12)15-7(5)14-3-13-6/h1,3H,2H2
InChI Key:
DZSVALSILXNFGI-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1cc(s2)CC(F)(F)F
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.639g/mol
Monoisotopic Mass:
251.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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