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116272-40-3 | Benzene, 4-chloro-1-fluoro-2-phenoxy-
CAS No: 116272-40-3 Catalog No: AG000C3M MDL No:
Product Description
Catalog Number:
AG000C3M
Chemical Name:
Benzene, 4-chloro-1-fluoro-2-phenoxy-
CAS Number:
116272-40-3
Molecular Formula:
C12H8ClFO
Molecular Weight:
222.6427
IUPAC Name:
4-chloro-1-fluoro-2-phenoxybenzene
InChI:
InChI=1S/C12H8ClFO/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h1-8H
InChI Key:
ZLZRKYLIFRXFNI-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Oc1ccccc1)F
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.643g/mol
Monoisotopic Mass:
222.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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