200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 313527-23-0
313527-23-0 | Imidazo[4,5-f]benzotriazol-6(1H)-one, 5,7-dihydro- (9CI)
CAS No: 313527-23-0 Catalog No: AG00CYTP MDL No:
Product Description
Catalog Number:
AG00CYTP
Chemical Name:
Imidazo[4,5-f]benzotriazol-6(1H)-one, 5,7-dihydro- (9CI)
CAS Number:
313527-23-0
Molecular Formula:
C7H5N5O
Molecular Weight:
175.1475
IUPAC Name:
5,7-dihydro-2H-imidazo[4,5-f]benzotriazol-6-one
InChI:
InChI=1S/C7H5N5O/c13-7-8-3-1-5-6(11-12-10-5)2-4(3)9-7/h1-2H,(H2,8,9,13)(H,10,11,12)
InChI Key:
KKBAWAFKLRLXIG-UHFFFAOYSA-N
SMILES:
Oc1[nH]c2c(n1)cc1c(c2)[nH]nn1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
175.151g/mol
Monoisotopic Mass:
175.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.