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22958-99-2 | Benzeneacetic acid, 4-(chlorosulfonyl)-
CAS No: 22958-99-2 Catalog No: AG002LNU MDL No:MFCD03094677
Product Description
Catalog Number:
AG002LNU
Chemical Name:
Benzeneacetic acid, 4-(chlorosulfonyl)-
CAS Number:
22958-99-2
Molecular Formula:
C8H7ClO4S
Molecular Weight:
234.6568
MDL Number:
MFCD03094677
IUPAC Name:
2-(4-chlorosulfonylphenyl)acetic acid
InChI:
InChI=1S/C8H7ClO4S/c9-14(12,13)7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:
FQSSPHAFXLRJBR-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.975g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.65g/mol
Monoisotopic Mass:
233.975g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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