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87294-23-3 | Benzenamine, 3-chloro-4-[4-(methylsulfonyl)phenoxy]-
CAS No: 87294-23-3 Catalog No: AG004HYO MDL No:
Product Description
Catalog Number:
AG004HYO
Chemical Name:
Benzenamine, 3-chloro-4-[4-(methylsulfonyl)phenoxy]-
CAS Number:
87294-23-3
Molecular Formula:
C13H12ClNO3S
Molecular Weight:
297.7573
IUPAC Name:
3-chloro-4-(4-methylsulfonylphenoxy)aniline
InChI:
InChI=1S/C13H12ClNO3S/c1-19(16,17)11-5-3-10(4-6-11)18-13-7-2-9(15)8-12(13)14/h2-8H,15H2,1H3
InChI Key:
VTEHKTVFDTWRIQ-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)Cl)Oc1ccc(cc1)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:
297.023g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.753g/mol
Monoisotopic Mass:
297.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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