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1379313-03-7 | 2-(4-Chloro-3-fluorophenyl)-3-methyl-butan-2-ol
CAS No: 1379313-03-7 Catalog No: AG01F9U5 MDL No:
Product Description
Catalog Number:
AG01F9U5
Chemical Name:
2-(4-Chloro-3-fluorophenyl)-3-methyl-butan-2-ol
CAS Number:
1379313-03-7
Molecular Formula:
C11H14ClFO
Molecular Weight:
216.6797
IUPAC Name:
2-(4-chloro-3-fluorophenyl)-3-methylbutan-2-ol
InChI:
InChI=1S/C11H14ClFO/c1-7(2)11(3,14)8-4-5-9(12)10(13)6-8/h4-7,14H,1-3H3
InChI Key:
CPMGMDSYWDWVAG-UHFFFAOYSA-N
SMILES:
CC(C(c1ccc(c(c1)F)Cl)(O)C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.68g/mol
Monoisotopic Mass:
216.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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