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133-53-9 | Phenol, 2,4-dichloro-3,5-dimethyl-
CAS No: 133-53-9 Catalog No: AG0011H7 MDL No:MFCD00019981
Product Description
Catalog Number:
AG0011H7
Chemical Name:
Phenol, 2,4-dichloro-3,5-dimethyl-
CAS Number:
133-53-9
Molecular Formula:
C8H8Cl2O
Molecular Weight:
191.0545
MDL Number:
MFCD00019981
IUPAC Name:
2,4-dichloro-3,5-dimethylphenol
InChI:
InChI=1S/C8H8Cl2O/c1-4-3-6(11)8(10)5(2)7(4)9/h3,11H,1-2H3
InChI Key:
IYOLBFFHPZOQGW-UHFFFAOYSA-N
SMILES:
Clc1c(C)cc(c(c1C)Cl)O
EC Number:
205-109-9
UNII:
51AC49OLT7
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.995g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.051g/mol
Monoisotopic Mass:
189.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Simultaneous determination of 21 preservatives in cosmetics by ultra performance liquid chromatography. | International journal of cosmetic science 20081001 |
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