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1417794-62-7 | Benzenemethanesulfinic acid, 2-chloro-6-fluoro-, sodium salt (1:1)
CAS No: 1417794-62-7 Catalog No: AG001H5R MDL No:MFCD22631797
Product Description
Catalog Number:
AG001H5R
Chemical Name:
Benzenemethanesulfinic acid, 2-chloro-6-fluoro-, sodium salt (1:1)
CAS Number:
1417794-62-7
Molecular Formula:
C7H5ClFNaO2S
Molecular Weight:
230.6196
MDL Number:
MFCD22631797
IUPAC Name:
sodium;(2-chloro-6-fluorophenyl)methanesulfinate
InChI:
InChI=1S/C7H6ClFO2S.Na/c8-6-2-1-3-7(9)5(6)4-12(10)11;/h1-3H,4H2,(H,10,11);/q;+1/p-1
InChI Key:
PCQDFYHNPYRHHQ-UHFFFAOYSA-M
SMILES:
[O-]S(=O)Cc1c(F)cccc1Cl.[Na+]
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.613g/mol
Monoisotopic Mass:
229.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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