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1956321-85-9 | 1H-Benzimidazole-6-sulfonyl chloride, hydrochloride (1:1)
CAS No: 1956321-85-9 Catalog No: AG003AFX MDL No:MFCD22495367
Product Description
Catalog Number:
AG003AFX
Chemical Name:
1H-Benzimidazole-6-sulfonyl chloride, hydrochloride (1:1)
CAS Number:
1956321-85-9
Molecular Formula:
C7H6Cl2N2O2S
Molecular Weight:
253.1057
MDL Number:
MFCD22495367
IUPAC Name:
3H-benzimidazole-5-sulfonyl chloride;hydrochloride
InChI:
InChI=1S/C7H5ClN2O2S.ClH/c8-13(11,12)5-1-2-6-7(3-5)10-4-9-6;/h1-4H,(H,9,10);1H
InChI Key:
XESBSBJNPJQJAV-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1ccc2c(c1)[nH]cn2.Cl
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.953g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.097g/mol
Monoisotopic Mass:
251.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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