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1099186-65-8 | 3-Fluoro-4-methoxy-5-(chlorosulfonyl)benzoic acid
CAS No: 1099186-65-8 Catalog No: AG01F964 MDL No:MFCD11650155
Product Description
Catalog Number:
AG01F964
Chemical Name:
3-Fluoro-4-methoxy-5-(chlorosulfonyl)benzoic acid
CAS Number:
1099186-65-8
Molecular Formula:
C8H6ClFO5S
Molecular Weight:
268.6466
MDL Number:
MFCD11650155
IUPAC Name:
3-chlorosulfonyl-5-fluoro-4-methoxybenzoic acid
InChI:
InChI=1S/C8H6ClFO5S/c1-15-7-5(10)2-4(8(11)12)3-6(7)16(9,13)14/h2-3H,1H3,(H,11,12)
InChI Key:
SKDLSNYWFWHJOI-UHFFFAOYSA-N
SMILES:
COc1c(F)cc(cc1S(=O)(=O)Cl)C(=O)O
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.961g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.639g/mol
Monoisotopic Mass:
267.961g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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