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1379364-90-5 | 2-(3,5-Dichlorophenyl)-3-methyl-butan-2-ol
CAS No: 1379364-90-5 Catalog No: AG01FBA5 MDL No:
Product Description
Catalog Number:
AG01FBA5
Chemical Name:
2-(3,5-Dichlorophenyl)-3-methyl-butan-2-ol
CAS Number:
1379364-90-5
Molecular Formula:
C11H14Cl2O
Molecular Weight:
233.1343
IUPAC Name:
2-(3,5-dichlorophenyl)-3-methylbutan-2-ol
InChI:
InChI=1S/C11H14Cl2O/c1-7(2)11(3,14)8-4-9(12)6-10(13)5-8/h4-7,14H,1-3H3
InChI Key:
TXNMQTIYMNASDY-UHFFFAOYSA-N
SMILES:
CC(C(c1cc(Cl)cc(c1)Cl)(O)C)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.132g/mol
Monoisotopic Mass:
232.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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