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101762-44-1 | Benzenesulfonic acid, dibromo-
CAS No: 101762-44-1 Catalog No: AG0005FD MDL No:
Product Description
Catalog Number:
AG0005FD
Chemical Name:
Benzenesulfonic acid, dibromo-
CAS Number:
101762-44-1
Molecular Formula:
C6H4Br2O3S
Molecular Weight:
315.9672
IUPAC Name:
2,3-dibromobenzenesulfonic acid
InChI:
InChI=1S/C6H4Br2O3S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,(H,9,10,11)
InChI Key:
YTCDCQWZOGUBQQ-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1Br)S(=O)(=O)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.823g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.963g/mol
Monoisotopic Mass:
313.825g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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