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1379356-25-8 | 4-iso-Butoxy-3-chlorothiophenol
CAS No: 1379356-25-8 Catalog No: AG01FEWE MDL No:
Product Description
Catalog Number:
AG01FEWE
Chemical Name:
4-iso-Butoxy-3-chlorothiophenol
CAS Number:
1379356-25-8
Molecular Formula:
C10H13ClOS
Molecular Weight:
216.7276
IUPAC Name:
3-chloro-4-(2-methylpropoxy)benzenethiol
InChI:
InChI=1S/C10H13ClOS/c1-7(2)6-12-10-4-3-8(13)5-9(10)11/h3-5,7,13H,6H2,1-2H3
InChI Key:
MAZXYLHTCOCGIV-UHFFFAOYSA-N
SMILES:
CC(COc1ccc(cc1Cl)S)C
Properties
Complexity:
152
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:
3
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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