3-Fluoro-6-methyl-2-nitroaniline - CAS 1393442-58-4
Catalog: |
BB065177 |
Product Name: |
3-Fluoro-6-methyl-2-nitroaniline |
CAS: |
1393442-58-4 |
Synonyms: |
3-Fluoro-6-methyl-2-nitroaniline; 3-Fluoro-6-methyl-2-nitrobenzenamine |
IUPAC Name: | 3-fluoro-6-methyl-2-nitroaniline |
Molecular Weight: | 170.14 |
Molecular Formula: | C7H7FN2O2 |
Canonical SMILES: | CC1=C(C(=C(C=C1)F)[N+](=O)[O-])N |
InChI: | InChI=1S/C7H7FN2O2/c1-4-2-3-5(8)7(6(4)9)10(11)12/h2-3H,9H2,1H3 |
InChI Key: | DCUPOKXMFOUBAP-UHFFFAOYSA-N |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.04915563 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.04915563 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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