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100465-04-1 | Benzene, 1,2-dichloro-3-fluoro-4-nitro-
CAS No: 100465-04-1 Catalog No: AG00022B MDL No:
Product Description
Catalog Number:
AG00022B
Chemical Name:
Benzene, 1,2-dichloro-3-fluoro-4-nitro-
CAS Number:
100465-04-1
Molecular Formula:
C6H2Cl2FNO2
Molecular Weight:
209.9900
IUPAC Name:
1,2-dichloro-3-fluoro-4-nitrobenzene
InChI:
InChI=1S/C6H2Cl2FNO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
InChI Key:
LCZBIHOCLOBQLF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1F)Cl)Cl
Properties
Complexity:
187
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:
3.1
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