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14443-34-6 | 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 5-amino-3-(4-chlorophenyl)-3,6-dihydro-
CAS No: 14443-34-6 Catalog No: AG001JIS MDL No:
Product Description
Catalog Number:
AG001JIS
Chemical Name:
7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 5-amino-3-(4-chlorophenyl)-3,6-dihydro-
CAS Number:
14443-34-6
Molecular Formula:
C10H7ClN6O
Molecular Weight:
262.6552
IUPAC Name:
5-amino-3-(4-chlorophenyl)-6H-triazolo[4,5-d]pyrimidin-7-one
InChI:
InChI=1S/C10H7ClN6O/c11-5-1-3-6(4-2-5)17-8-7(15-16-17)9(18)14-10(12)13-8/h1-4H,(H3,12,13,14,18)
InChI Key:
KZQPNBPQCKQEDA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1nnc2c1nc(N)[nH]c2=O
NSC Number:
29577
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.037g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.657g/mol
Monoisotopic Mass:
262.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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