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1008138-43-9 | 3-tert-Butyl-5-(chlorosulfonyl)benzoic acid
CAS No: 1008138-43-9 Catalog No: AG01FAT6 MDL No:MFCD16817582
Product Description
Catalog Number:
AG01FAT6
Chemical Name:
3-tert-Butyl-5-(chlorosulfonyl)benzoic acid
CAS Number:
1008138-43-9
Molecular Formula:
C11H13ClO4S
Molecular Weight:
276.7365
MDL Number:
MFCD16817582
IUPAC Name:
3-tert-butyl-5-chlorosulfonylbenzoic acid
InChI:
InChI=1S/C11H13ClO4S/c1-11(2,3)8-4-7(10(13)14)5-9(6-8)17(12,15)16/h4-6H,1-3H3,(H,13,14)
InChI Key:
USJBOBGYZZUISZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)S(=O)(=O)Cl)C(C)(C)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.022g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.731g/mol
Monoisotopic Mass:
276.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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