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89725-31-5 | 1H-Benzimidazole-5-sulfonamide, 6-chloro-2-(phenoxymethyl)-
CAS No: 89725-31-5 Catalog No: AG0041ZX MDL No:
Product Description
Catalog Number:
AG0041ZX
Chemical Name:
1H-Benzimidazole-5-sulfonamide, 6-chloro-2-(phenoxymethyl)-
CAS Number:
89725-31-5
Molecular Formula:
C14H12ClN3O3S
Molecular Weight:
337.7814
IUPAC Name:
6-chloro-2-(phenoxymethyl)-3H-benzimidazole-5-sulfonamide
InChI:
InChI=1S/C14H12ClN3O3S/c15-10-6-11-12(7-13(10)22(16,19)20)18-14(17-11)8-21-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)(H2,16,19,20)
InChI Key:
SMOBSPYGYIFVSX-UHFFFAOYSA-N
SMILES:
Clc1cc2[nH]c(nc2cc1S(=O)(=O)N)COc1ccccc1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.029g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.778g/mol
Monoisotopic Mass:
337.029g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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