N-Cyclopentyl-5-fluoro-2-nitroaniline - CAS 1250834-99-1
Catalog: |
BB069088 |
Product Name: |
N-Cyclopentyl-5-fluoro-2-nitroaniline |
CAS: |
1250834-99-1 |
Synonyms: |
N-Cyclopentyl-5-fluoro-2-nitroaniline |
IUPAC Name: | N-cyclopentyl-5-fluoro-2-nitroaniline |
Description: | N-Cyclopentyl-5-fluoro-2-nitroaniline |
Molecular Weight: | 224.23 |
Molecular Formula: | C11H13FN2O2 |
Canonical SMILES: | C1CCC(C1)NC2=C(C=CC(=C2)F)[N+](=O)[O-] |
InChI: | InChI=1S/C11H13FN2O2/c12-8-5-6-11(14(15)16)10(7-8)13-9-3-1-2-4-9/h5-7,9,13H,1-4H2 |
InChI Key: | UIVSDNDIJOYWAU-UHFFFAOYSA-N |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.09610582 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.09610582 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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