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87740-23-6 | Benzenamine, 3-chloro-4-[(phenylthio)methyl]-
CAS No: 87740-23-6 Catalog No: AG004LNL MDL No:
Product Description
Catalog Number:
AG004LNL
Chemical Name:
Benzenamine, 3-chloro-4-[(phenylthio)methyl]-
CAS Number:
87740-23-6
Molecular Formula:
C13H12ClNS
Molecular Weight:
249.7591
IUPAC Name:
3-chloro-4-(phenylsulfanylmethyl)aniline
InChI:
InChI=1S/C13H12ClNS/c14-13-8-11(15)7-6-10(13)9-16-12-4-2-1-3-5-12/h1-8H,9,15H2
InChI Key:
WGMJRJJKWCZYFV-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)Cl)CSc1ccccc1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.756g/mol
Monoisotopic Mass:
249.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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