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89711-29-5 | Phenol, 2-chloro-5-methoxy-3,6-dimethyl-
CAS No: 89711-29-5 Catalog No: AG0043W2 MDL No:MFCD24723893
Product Description
Catalog Number:
AG0043W2
Chemical Name:
Phenol, 2-chloro-5-methoxy-3,6-dimethyl-
CAS Number:
89711-29-5
Molecular Formula:
C9H11ClO2
Molecular Weight:
186.6354
MDL Number:
MFCD24723893
IUPAC Name:
2-chloro-5-methoxy-3,6-dimethylphenol
InChI:
InChI=1S/C9H11ClO2/c1-5-4-7(12-3)6(2)9(11)8(5)10/h4,11H,1-3H3
InChI Key:
PZONYNGCYMGDDT-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(c(c1C)O)Cl
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.635g/mol
Monoisotopic Mass:
186.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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