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84865-94-1 | Benzenamine, 3-chloro-4-[4-(methylthio)phenoxy]-
CAS No: 84865-94-1 Catalog No: AG004WA7 MDL No:
Product Description
Catalog Number:
AG004WA7
Chemical Name:
Benzenamine, 3-chloro-4-[4-(methylthio)phenoxy]-
CAS Number:
84865-94-1
Molecular Formula:
C13H12ClNOS
Molecular Weight:
265.7585
IUPAC Name:
3-chloro-4-(4-methylsulfanylphenoxy)aniline
InChI:
InChI=1S/C13H12ClNOS/c1-17-11-5-3-10(4-6-11)16-13-7-2-9(15)8-12(13)14/h2-8H,15H2,1H3
InChI Key:
RNHQFFNNGALFAU-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)Oc1ccc(cc1Cl)N
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.033g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.755g/mol
Monoisotopic Mass:
265.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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