N-Isopropyl-3-nitrobenzamide - CAS 50445-53-9
Catalog: |
BB060552 |
Product Name: |
N-Isopropyl-3-nitrobenzamide |
CAS: |
50445-53-9 |
Synonyms: |
N-Isopropyl-3-nitrobenzamide; 3-nitro-N-propan-2-ylbenzamide; 3-nitro-N-(propan-2-yl)benzamide |
IUPAC Name: | 3-nitro-N-propan-2-ylbenzamide |
Description: | N-Isopropyl-3-nitrobenzamide |
Molecular Weight: | 208.21 |
Molecular Formula: | C10H12N2O3 |
Canonical SMILES: | CC(C)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C10H12N2O3/c1-7(2)11-10(13)8-4-3-5-9(6-8)12(14)15/h3-7H,1-2H3,(H,11,13) |
InChI Key: | LAZHBIZCDHGGKL-UHFFFAOYSA-N |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.08479225 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.08479225 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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