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53439-87-5 | 2-OXO-2,3-DIHYDRO-1H-BENZOIMIDAZOLE-5-SULFONYL CHLORIDE
CAS No: 53439-87-5 Catalog No: AG00D9DN MDL No:MFCD03965826
Product Description
Catalog Number:
AG00D9DN
Chemical Name:
2-OXO-2,3-DIHYDRO-1H-BENZOIMIDAZOLE-5-SULFONYL CHLORIDE
CAS Number:
53439-87-5
Molecular Formula:
C7H5ClN2O3S
Molecular Weight:
232.6442
MDL Number:
MFCD03965826
IUPAC Name:
2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride
InChI:
InChI=1S/C7H5ClN2O3S/c8-14(12,13)4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChI Key:
OFWLWHNQAUHHGZ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c([nH]1)cc(cc2)S(=O)(=O)Cl
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.971g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.638g/mol
Monoisotopic Mass:
231.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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