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1292209-81-4 | Benzoic acid, 2-[(chlorosulfonyl)methyl]-
CAS No: 1292209-81-4 Catalog No: AG000YYJ MDL No:
Product Description
Catalog Number:
AG000YYJ
Chemical Name:
Benzoic acid, 2-[(chlorosulfonyl)methyl]-
CAS Number:
1292209-81-4
Molecular Formula:
C8H7ClO4S
Molecular Weight:
234.6568
IUPAC Name:
2-(chlorosulfonylmethyl)benzoic acid
InChI:
InChI=1S/C8H7ClO4S/c9-14(12,13)5-6-3-1-2-4-7(6)8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:
NOUNVKQUGFAZTJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1CS(=O)(=O)Cl
Properties
Complexity:
306
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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