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1379331-74-4 | 3-Chloro-4-n-propoxyphenyl methyl sulfide
CAS No: 1379331-74-4 Catalog No: AG01FBM7 MDL No:
Product Description
Catalog Number:
AG01FBM7
Chemical Name:
3-Chloro-4-n-propoxyphenyl methyl sulfide
CAS Number:
1379331-74-4
Molecular Formula:
C10H13ClOS
Molecular Weight:
216.7276
IUPAC Name:
2-chloro-4-methylsulfanyl-1-propoxybenzene
InChI:
InChI=1S/C10H13ClOS/c1-3-6-12-10-5-4-8(13-2)7-9(10)11/h4-5,7H,3,6H2,1-2H3
InChI Key:
WPIUPWFQGWEHFK-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1Cl)SC
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.723g/mol
Monoisotopic Mass:
216.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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