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1379362-75-0 | 3-Chloro-4-iso-pentoxythiophenol
CAS No: 1379362-75-0 Catalog No: AG01FEOU MDL No:
Product Description
Catalog Number:
AG01FEOU
Chemical Name:
3-Chloro-4-iso-pentoxythiophenol
CAS Number:
1379362-75-0
Molecular Formula:
C11H15ClOS
Molecular Weight:
230.7542
IUPAC Name:
3-chloro-4-(3-methylbutoxy)benzenethiol
InChI:
InChI=1S/C11H15ClOS/c1-8(2)5-6-13-11-4-3-9(14)7-10(11)12/h3-4,7-8,14H,5-6H2,1-2H3
InChI Key:
ZXESLCJYXJAJML-UHFFFAOYSA-N
SMILES:
CC(CCOc1ccc(cc1Cl)S)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.75g/mol
Monoisotopic Mass:
230.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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