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119222-29-6 | 3H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-chloro-3-[(2-fluorophenyl)methyl]-
CAS No: 119222-29-6 Catalog No: AG000IEV MDL No:
Product Description
Catalog Number:
AG000IEV
Chemical Name:
3H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-chloro-3-[(2-fluorophenyl)methyl]-
CAS Number:
119222-29-6
Molecular Formula:
C11H7ClFN5
Molecular Weight:
263.6582
IUPAC Name:
7-chloro-3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidine
InChI:
InChI=1S/C11H7ClFN5/c12-10-9-11(15-6-14-10)18(17-16-9)5-7-3-1-2-4-8(7)13/h1-4,6H,5H2
InChI Key:
LHTSUYPWOFSZSS-UHFFFAOYSA-N
SMILES:
Fc1ccccc1Cn1nnc2c1ncnc2Cl
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.037g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.66g/mol
Monoisotopic Mass:
263.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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