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89706-21-8 | Phenol, 4-[(4-chlorobutyl)thio]-, acetate
CAS No: 89706-21-8 Catalog No: AG0043Y3 MDL No:
Product Description
Catalog Number:
AG0043Y3
Chemical Name:
Phenol, 4-[(4-chlorobutyl)thio]-, acetate
CAS Number:
89706-21-8
Molecular Formula:
C12H17ClO3S
Molecular Weight:
276.7796
IUPAC Name:
acetic acid;4-(4-chlorobutylsulfanyl)phenol
InChI:
InChI=1S/C10H13ClOS.C2H4O2/c11-7-1-2-8-13-10-5-3-9(12)4-6-10;1-2(3)4/h3-6,12H,1-2,7-8H2;1H3,(H,3,4)
InChI Key:
UXMNUQBLMBLHCW-UHFFFAOYSA-N
SMILES:
CC(=O)O.ClCCCCSc1ccc(cc1)O
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.775g/mol
Monoisotopic Mass:
276.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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