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1000339-83-2 | 4-[(2-Fluoro-4-methylsulfonyl)phenoxy]aniline
CAS No: 1000339-83-2 Catalog No: AG01F2YQ MDL No:
Product Description
Catalog Number:
AG01F2YQ
Chemical Name:
4-[(2-Fluoro-4-methylsulfonyl)phenoxy]aniline
CAS Number:
1000339-83-2
Molecular Formula:
C13H12FNO3S
Molecular Weight:
281.3027
IUPAC Name:
4-(2-fluoro-4-methylsulfonylphenoxy)aniline
InChI:
InChI=1S/C13H12FNO3S/c1-19(16,17)11-6-7-13(12(14)8-11)18-10-4-2-9(15)3-5-10/h2-8H,15H2,1H3
InChI Key:
PPLWUOXLDFUNIY-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Oc1ccc(cc1F)S(=O)(=O)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.301g/mol
Monoisotopic Mass:
281.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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