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1378873-87-0 | 3-Chloro-4-n-pentoxythiophenol
CAS No: 1378873-87-0 Catalog No: AG01FF1S MDL No:
Product Description
Catalog Number:
AG01FF1S
Chemical Name:
3-Chloro-4-n-pentoxythiophenol
CAS Number:
1378873-87-0
Molecular Formula:
C11H15ClOS
Molecular Weight:
230.7542
IUPAC Name:
3-chloro-4-pentoxybenzenethiol
InChI:
InChI=1S/C11H15ClOS/c1-2-3-4-7-13-11-6-5-9(14)8-10(11)12/h5-6,8,14H,2-4,7H2,1H3
InChI Key:
OAGCIMOQKYZDCQ-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1Cl)S
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:
5
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