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87294-29-9 | Benzenamine, 3-chloro-4-[[4-(1-methylethoxy)phenyl]thio]-
CAS No: 87294-29-9 Catalog No: AG004HYK MDL No:
Product Description
Catalog Number:
AG004HYK
Chemical Name:
Benzenamine, 3-chloro-4-[[4-(1-methylethoxy)phenyl]thio]-
CAS Number:
87294-29-9
Molecular Formula:
C15H16ClNOS
Molecular Weight:
293.8116
IUPAC Name:
3-chloro-4-(4-propan-2-yloxyphenyl)sulfanylaniline
InChI:
InChI=1S/C15H16ClNOS/c1-10(2)18-12-4-6-13(7-5-12)19-15-8-3-11(17)9-14(15)16/h3-10H,17H2,1-2H3
InChI Key:
YWFSTFAUEKIRHL-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1)Sc1ccc(cc1Cl)N)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.809g/mol
Monoisotopic Mass:
293.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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