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1443340-09-7

1443340-09-7 | 3-Chloro-6-n-pentoxythiophenol

CAS No: 1443340-09-7 Catalog No: AG01FF2Q MDL No:

Product Description

Catalog Number:
AG01FF2Q
Chemical Name:
3-Chloro-6-n-pentoxythiophenol
CAS Number:
1443340-09-7
Molecular Formula:
C11H15ClOS
Molecular Weight:
230.7542
IUPAC Name:
5-chloro-2-pentoxybenzenethiol
InChI:
InChI=1S/C11H15ClOS/c1-2-3-4-7-13-10-6-5-9(12)8-11(10)14/h5-6,8,14H,2-4,7H2,1H3
InChI Key:
JUQGWZGZBRYCQH-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1S)Cl

Properties

Complexity:
154  
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:
5  
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

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