1-(4-(methylamino)-3-nitrophenyl)ethanone - CAS 18076-17-0
Catalog: |
BB075916 |
Product Name: |
1-(4-(methylamino)-3-nitrophenyl)ethanone |
CAS: |
18076-17-0 |
Synonyms: |
1-(4-(METHYLAMINO)-3-NITROPHENYL)ETHANONE; 1-[4-(methylamino)-3-nitrophenyl]ethanone; 1-[4-(Methylamino)-3-nitrophenyl]ethan-1-one; 1-(4-(Methylamino)-3-nitrophenyl)ethan-1-one; 1-(4-methylamino-3-nitrophenyl)ethanone |
IUPAC Name: | 1-[4-(methylamino)-3-nitrophenyl]ethanone |
Molecular Weight: | 194.18 |
Molecular Formula: | C9H10N2O3 |
Canonical SMILES: | CC(=O)C1=CC(=C(C=C1)NC)[N+](=O)[O-] |
InChI: | InChI=1S/C9H10N2O3/c1-6(12)7-3-4-8(10-2)9(5-7)11(13)14/h3-5,10H,1-2H3 |
InChI Key: | RFMFMDSOEBOCAX-UHFFFAOYSA-N |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.06914219 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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