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114153-13-8 | Benzene, 2-chloro-4,5-difluoro-3-methyl-1-nitro-
CAS No: 114153-13-8 Catalog No: AG000AO6 MDL No:
Product Description
Catalog Number:
AG000AO6
Chemical Name:
Benzene, 2-chloro-4,5-difluoro-3-methyl-1-nitro-
CAS Number:
114153-13-8
Molecular Formula:
C7H4ClF2NO2
Molecular Weight:
207.5620
IUPAC Name:
4-chloro-1,2-difluoro-3-methyl-5-nitrobenzene
InChI:
InChI=1S/C7H4ClF2NO2/c1-3-6(8)5(11(12)13)2-4(9)7(3)10/h2H,1H3
InChI Key:
KOMUAHNBARRVKH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(F)c(c(c1Cl)C)F
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.561g/mol
Monoisotopic Mass:
206.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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