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3107-19-5 | Benzene, 1,3-dichloro-2-fluoro-5-nitro-
CAS No: 3107-19-5 Catalog No: AG003227 MDL No:MFCD00129963
Product Description
Catalog Number:
AG003227
Chemical Name:
Benzene, 1,3-dichloro-2-fluoro-5-nitro-
CAS Number:
3107-19-5
Molecular Formula:
C6H2Cl2FNO2
Molecular Weight:
209.9900
MDL Number:
MFCD00129963
IUPAC Name:
1,3-dichloro-2-fluoro-5-nitrobenzene
InChI:
InChI=1S/C6H2Cl2FNO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H
InChI Key:
VMAATSFMXSMKPG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)F
EC Number:
221-466-3
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.945g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.985g/mol
Monoisotopic Mass:
208.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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