Home Other Building Blocks 3-fluoro-4-methanesulfinylaniline

3-fluoro-4-methanesulfinylaniline

CAS No.:
1354961-97-9
Catalog Number:
AG019S0U
Molecular Formula:
C7H8FNOS
Molecular Weight:
173.2079
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Product Description
Catalog Number:
AG019S0U
Chemical Name:
3-fluoro-4-methanesulfinylaniline
CAS Number:
1354961-97-9
Molecular Formula:
C7H8FNOS
Molecular Weight:
173.2079
MDL Number:
MFCD20258887
IUPAC Name:
3-fluoro-4-methylsulfinylaniline
InChI:
InChI=1S/C7H8FNOS/c1-11(10)7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
InChI Key:
ZKRMITDYKJNEHC-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)F)S(=O)C
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.031g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.205g/mol
Monoisotopic Mass:
173.031g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties