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199586-28-2 | Phenol, 3-chloro-4-fluoro-, acetate (9CI)
CAS No: 199586-28-2 Catalog No: AG002C6X MDL No:
Product Description
Catalog Number:
AG002C6X
Chemical Name:
Phenol, 3-chloro-4-fluoro-, acetate (9CI)
CAS Number:
199586-28-2
Molecular Formula:
C8H6ClFO2
Molecular Weight:
188.5834
IUPAC Name:
(3-chloro-4-fluorophenyl) acetate
InChI:
InChI=1S/C8H6ClFO2/c1-5(11)12-6-2-3-8(10)7(9)4-6/h2-4H,1H3
InChI Key:
IPSIPXOXHRSGTM-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(c(c1)Cl)F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.582g/mol
Monoisotopic Mass:
188.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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