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1342549-67-0 | 2-(3-Chloro-6-methoxyphenyl)-3-methyl-butan-2-ol
CAS No: 1342549-67-0 Catalog No: AG01F9I0 MDL No:
Product Description
Catalog Number:
AG01F9I0
Chemical Name:
2-(3-Chloro-6-methoxyphenyl)-3-methyl-butan-2-ol
CAS Number:
1342549-67-0
Molecular Formula:
C12H17ClO2
Molecular Weight:
228.7152
IUPAC Name:
2-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-ol
InChI:
InChI=1S/C12H17ClO2/c1-8(2)12(3,14)10-7-9(13)5-6-11(10)15-4/h5-8,14H,1-4H3
InChI Key:
PWNJSUUVIRNHLL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(C(C)C)(O)C)Cl
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.716g/mol
Monoisotopic Mass:
228.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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