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1379366-86-5 | 2-(3-Chloro-4-fluorophenyl)-2-butanol
CAS No: 1379366-86-5 Catalog No: AG01FD3J MDL No:
Product Description
Catalog Number:
AG01FD3J
Chemical Name:
2-(3-Chloro-4-fluorophenyl)-2-butanol
CAS Number:
1379366-86-5
Molecular Formula:
C10H12ClFO
Molecular Weight:
202.6531
IUPAC Name:
2-(3-chloro-4-fluorophenyl)butan-2-ol
InChI:
InChI=1S/C10H12ClFO/c1-3-10(2,13)7-4-5-9(12)8(11)6-7/h4-6,13H,3H2,1-2H3
InChI Key:
ASSLKCQXVRLWSA-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)Cl)F)(O)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.653g/mol
Monoisotopic Mass:
202.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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