200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 39513-21-8
39513-21-8 | 2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonic acid
CAS No: 39513-21-8 Catalog No: AG00J98K MDL No:MFCD03724234
Product Description
Catalog Number:
AG00J98K
Chemical Name:
2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonic acid
CAS Number:
39513-21-8
Molecular Formula:
C7H6N2O4S
Molecular Weight:
214.1985
MDL Number:
MFCD03724234
IUPAC Name:
2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid
InChI:
InChI=1S/C7H6N2O4S/c10-7-8-5-2-1-4(14(11,12)13)3-6(5)9-7/h1-3H,(H2,8,9,10)(H,11,12,13)
InChI Key:
IZLICCOPSQZBAZ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c([nH]1)cc(cc2)S(=O)(=O)O
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.005g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
214.195g/mol
Monoisotopic Mass:
214.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.