200,000+ products from a single source!
sales@angenechem.com
773128-72-6 | Benzoic acid, 4-bromo-2-(methylsulfonyl)-, ethyl ester
CAS No: 773128-72-6 Catalog No: AG00547U MDL No:
Product Description
Catalog Number:
AG00547U
Chemical Name:
Benzoic acid, 4-bromo-2-(methylsulfonyl)-, ethyl ester
CAS Number:
773128-72-6
Molecular Formula:
C10H11BrO4S
Molecular Weight:
307.1609
IUPAC Name:
ethyl 4-bromo-2-methylsulfonylbenzoate
InChI:
InChI=1S/C10H11BrO4S/c1-3-15-10(12)8-5-4-7(11)6-9(8)16(2,13)14/h4-6H,3H2,1-2H3
InChI Key:
QPESNLGXWNKLCW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1S(=O)(=O)C)Br
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.956g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.158g/mol
Monoisotopic Mass:
305.956g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.