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446-33-3 | 5-Fluoro-2-nitrotoluene
CAS No: 446-33-3 Catalog No: AG003MRC MDL No:MFCD00007283
Product Description
Catalog Number:
AG003MRC
Chemical Name:
5-Fluoro-2-nitrotoluene
CAS Number:
446-33-3
Molecular Formula:
C7H6FNO2
Molecular Weight:
155.1264
MDL Number:
MFCD00007283
IUPAC Name:
4-fluoro-2-methyl-1-nitrobenzene
InChI:
InChI=1S/C7H6FNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3
InChI Key:
JHFOWEGCZWLHNW-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C)[N+](=O)[O-]
EC Number:
207-164-4
NSC Number:
10334
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.128g/mol
Monoisotopic Mass:
155.038g/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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