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1365627-43-5 | 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-(phenylmethyl)-2-(trifluoromethyl)-
CAS No: 1365627-43-5 Catalog No: AG001225 MDL No:
Product Description
Catalog Number:
AG001225
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-(phenylmethyl)-2-(trifluoromethyl)-
CAS Number:
1365627-43-5
Molecular Formula:
C14H9ClF3N3
Molecular Weight:
311.6896
IUPAC Name:
7-benzyl-4-chloro-2-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C14H9ClF3N3/c15-11-10-6-7-21(8-9-4-2-1-3-5-9)12(10)20-13(19-11)14(16,17)18/h1-7H,8H2
InChI Key:
YQCRWUIVIXNUJY-UHFFFAOYSA-N
SMILES:
Clc1nc(nc2c1ccn2Cc1ccccc1)C(F)(F)F
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.044g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.692g/mol
Monoisotopic Mass:
311.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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