Home Nitros Benzene, 1-fluoro-2-methyl-3,5-dinitro-

Benzene, 1-fluoro-2-methyl-3,5-dinitro-

CAS No.:
85233-16-5
Catalog Number:
AG004V9Q
Molecular Formula:
C7H5FN2O4
Molecular Weight:
200.1240
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Product Description
Catalog Number:
AG004V9Q
Chemical Name:
Benzene, 1-fluoro-2-methyl-3,5-dinitro-
CAS Number:
85233-16-5
Molecular Formula:
C7H5FN2O4
Molecular Weight:
200.1240
MDL Number:
MFCD16251123
IUPAC Name:
1-fluoro-2-methyl-3,5-dinitrobenzene
InChI:
InChI=1S/C7H5FN2O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,1H3
InChI Key:
JZFYAALVLGWFKH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(F)c(c(c1)[N+](=O)[O-])C
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.023g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.125g/mol
Monoisotopic Mass:
200.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties