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125659-80-5 | Benzene, 1-chloro-4-[(ethylthio)phenylmethyl]-
CAS No: 125659-80-5 Catalog No: AG000OAQ MDL No:
Product Description
Catalog Number:
AG000OAQ
Chemical Name:
Benzene, 1-chloro-4-[(ethylthio)phenylmethyl]-
CAS Number:
125659-80-5
Molecular Formula:
C15H15ClS
Molecular Weight:
262.7976
IUPAC Name:
1-chloro-4-[ethylsulfanyl(phenyl)methyl]benzene
InChI:
InChI=1S/C15H15ClS/c1-2-17-15(12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,15H,2H2,1H3
InChI Key:
RRYAGYCAAGNDRY-UHFFFAOYSA-N
SMILES:
CCSC(c1ccccc1)c1ccc(cc1)Cl
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.795g/mol
Monoisotopic Mass:
262.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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