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12001-44-4 | Phenol, chloro-5-methyl-2-(1-methylethyl)- (9CI)
CAS No: 12001-44-4 Catalog No: AG000Q33 MDL No:
Product Description
Catalog Number:
AG000Q33
Chemical Name:
Phenol, chloro-5-methyl-2-(1-methylethyl)- (9CI)
CAS Number:
12001-44-4
Molecular Formula:
C10H13ClO
Molecular Weight:
184.6626
IUPAC Name:
3-chloro-5-methyl-2-propan-2-ylphenol
InChI:
InChI=1S/C10H13ClO/c1-6(2)10-8(11)4-7(3)5-9(10)12/h4-6,12H,1-3H3
InChI Key:
RPTBHWFXUBPYRT-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(c(c1)Cl)C(C)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.663g/mol
Monoisotopic Mass:
184.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Reversal of efflux mediated antifungal resistance underlies synergistic activity of two monoterpenes with fluconazole. | European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20130123 |
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