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1378875-44-5 | 2-n-Butoxy-5-chlorothiophenol
CAS No: 1378875-44-5 Catalog No: AG01FF66 MDL No:
Product Description
Catalog Number:
AG01FF66
Chemical Name:
2-n-Butoxy-5-chlorothiophenol
CAS Number:
1378875-44-5
Molecular Formula:
C10H13ClOS
Molecular Weight:
216.7276
IUPAC Name:
2-butoxy-5-chlorobenzenethiol
InChI:
InChI=1S/C10H13ClOS/c1-2-3-6-12-9-5-4-8(11)7-10(9)13/h4-5,7,13H,2-3,6H2,1H3
InChI Key:
FKWJHGLONKRXPK-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1S)Cl
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:
1
Isotope Atom Count:
0
Molecular Weight:
216.723g/mol
Monoisotopic Mass:
216.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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