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827579-40-8 | Benzene, 1-(2,4-dichlorophenoxy)-3-fluoro-2-nitro-
CAS No: 827579-40-8 Catalog No: AG004Z15 MDL No:MFCD17373796
Product Description
Catalog Number:
AG004Z15
Chemical Name:
Benzene, 1-(2,4-dichlorophenoxy)-3-fluoro-2-nitro-
CAS Number:
827579-40-8
Molecular Formula:
C12H6Cl2FNO3
Molecular Weight:
302.0853
MDL Number:
MFCD17373796
IUPAC Name:
1-(2,4-dichlorophenoxy)-3-fluoro-2-nitrobenzene
InChI:
InChI=1S/C12H6Cl2FNO3/c13-7-4-5-10(8(14)6-7)19-11-3-1-2-9(15)12(11)16(17)18/h1-6H
InChI Key:
WKKXJNNFQFNTPN-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)Oc1cccc(c1[N+](=O)[O-])F
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.971g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.082g/mol
Monoisotopic Mass:
300.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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