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264927-50-6 | Benzoic acid, 2-chloro-5-(chlorosulfonyl)-4-fluoro-
CAS No: 264927-50-6 Catalog No: AG002TG6 MDL No:MFCD01321365
Product Description
Catalog Number:
AG002TG6
Chemical Name:
Benzoic acid, 2-chloro-5-(chlorosulfonyl)-4-fluoro-
CAS Number:
264927-50-6
Molecular Formula:
C7H3Cl2FO4S
Molecular Weight:
273.0657
MDL Number:
MFCD01321365
IUPAC Name:
2-chloro-5-chlorosulfonyl-4-fluorobenzoic acid
InChI:
InChI=1S/C7H3Cl2FO4S/c8-4-2-5(10)6(15(9,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)
InChI Key:
QOPIIRYHSQOQRN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c(cc1Cl)F)S(=O)(=O)Cl
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.911g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.055g/mol
Monoisotopic Mass:
271.911g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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