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1197233-67-2 | 3-Fluoro-4-methylsulfonylaniline hydrochloride
CAS No: 1197233-67-2 Catalog No: AG01F23I MDL No:
Product Description
Catalog Number:
AG01F23I
Chemical Name:
3-Fluoro-4-methylsulfonylaniline hydrochloride
CAS Number:
1197233-67-2
Molecular Formula:
C7H9ClFNO2S
Molecular Weight:
225.6683
IUPAC Name:
3-fluoro-4-methylsulfonylaniline;hydrochloride
InChI:
InChI=1S/C7H8FNO2S.ClH/c1-12(10,11)7-3-2-5(9)4-6(7)8;/h2-4H,9H2,1H3;1H
InChI Key:
CEFYZTVOOZCYNT-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)F)S(=O)(=O)C.Cl
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.003g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.662g/mol
Monoisotopic Mass:
225.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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