3-Fluoro-2-methoxy-4-nitroaniline - CAS 1951445-06-9
Catalog: |
BB064898 |
Product Name: |
3-Fluoro-2-methoxy-4-nitroaniline |
CAS: |
1951445-06-9 |
Synonyms: |
3-Fluoro-2-methoxy-4-nitroaniline |
IUPAC Name: | 3-fluoro-2-methoxy-4-nitroaniline |
Description: | 3-Fluoro-2-methoxy-4-nitroaniline |
Molecular Weight: | 186.14 |
Molecular Formula: | C7H7FN2O3 |
Canonical SMILES: | COC1=C(C=CC(=C1F)[N+](=O)[O-])N |
InChI: | InChI=1S/C7H7FN2O3/c1-13-7-4(9)2-3-5(6(7)8)10(11)12/h2-3H,9H2,1H3 |
InChI Key: | NBTHWDFBBGFYKF-UHFFFAOYSA-N |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.04407025 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.04407025 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 81.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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