200,000+ products from a single source!
sales@angenechem.com
54322-31-5 | 4-(2-Bromoethyl);benzenesulfonic acid
CAS No: 54322-31-5 Catalog No: AG003JZ5 MDL No:MFCD01861279
Product Description
Catalog Number:
AG003JZ5
Chemical Name:
4-(2-Bromoethyl);benzenesulfonic acid
CAS Number:
54322-31-5
Molecular Formula:
C8H9BrO3S
Molecular Weight:
265.1243
MDL Number:
MFCD01861279
IUPAC Name:
4-(2-bromoethyl)benzenesulfonic acid
InChI:
InChI=1S/C8H9BrO3S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6H2,(H,10,11,12)
InChI Key:
XRPCDXSRXPQUKT-UHFFFAOYSA-N
SMILES:
BrCCc1ccc(cc1)S(=O)(=O)O
EC Number:
259-094-9
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.946g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.121g/mol
Monoisotopic Mass:
263.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.