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878572-03-3 | Benzenemethanol,3-chloro-4-fluoro-a-methyl-
CAS No: 878572-03-3 Catalog No: AG004JF4 MDL No:MFCD04973766
Product Description
Catalog Number:
AG004JF4
Chemical Name:
Benzenemethanol,3-chloro-4-fluoro-a-methyl-
CAS Number:
878572-03-3
Molecular Formula:
C8H8ClFO
Molecular Weight:
174.5999
MDL Number:
MFCD04973766
IUPAC Name:
1-(3-chloro-4-fluorophenyl)ethanol
InChI:
InChI=1S/C8H8ClFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5,11H,1H3
InChI Key:
RGGSPHGSOUBBIC-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1)Cl)F)O
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.599g/mol
Monoisotopic Mass:
174.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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