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1195-33-1 | Benzenesulfinic acid, 4-bromo-
CAS No: 1195-33-1 Catalog No: AG000IWN MDL No:MFCD21886700
Product Description
Catalog Number:
AG000IWN
Chemical Name:
Benzenesulfinic acid, 4-bromo-
CAS Number:
1195-33-1
Molecular Formula:
C6H5BrO2S
Molecular Weight:
221.0717
MDL Number:
MFCD21886700
IUPAC Name:
4-bromobenzenesulfinic acid
InChI:
InChI=1S/C6H5BrO2S/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9)
InChI Key:
QBLQHDHWTVMHRH-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.919g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.068g/mol
Monoisotopic Mass:
219.919g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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