200,000+ products from a single source!
sales@angenechem.com
132269-53-5 | 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 3-[(4-chlorophenyl)methyl]-3,6-dihydro-
CAS No: 132269-53-5 Catalog No: AG0010GG MDL No:MFCD03086538
Product Description
Catalog Number:
AG0010GG
Chemical Name:
7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 3-[(4-chlorophenyl)methyl]-3,6-dihydro-
CAS Number:
132269-53-5
Molecular Formula:
C11H8ClN5O
Molecular Weight:
261.6671
MDL Number:
MFCD03086538
IUPAC Name:
3-[(4-chlorophenyl)methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
InChI:
InChI=1S/C11H8ClN5O/c12-8-3-1-7(2-4-8)5-17-10-9(15-16-17)11(18)14-6-13-10/h1-4,6H,5H2,(H,13,14,18)
InChI Key:
MMKXSLFUSPXJDM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Cn1nnc2c1nc[nH]c2=O
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.669g/mol
Monoisotopic Mass:
261.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.