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82835-61-8 | Benzenesulfonic acid, 4-(bromomethyl)-
CAS No: 82835-61-8 Catalog No: AG004SMA MDL No:MFCD25967549
Product Description
Catalog Number:
AG004SMA
Chemical Name:
Benzenesulfonic acid, 4-(bromomethyl)-
CAS Number:
82835-61-8
Molecular Formula:
C7H7BrO3S
Molecular Weight:
251.0977
MDL Number:
MFCD25967549
IUPAC Name:
4-(bromomethyl)benzenesulfonic acid
InChI:
InChI=1S/C7H7BrO3S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5H2,(H,9,10,11)
InChI Key:
DDSXIDHLKARTSS-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.93g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.094g/mol
Monoisotopic Mass:
249.93g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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