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Bufexamac
CAS: 2438-72-4 | C12H17NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2438-72-4
Molecular Formula:
C12H17NO3
Molecular Mass:
223.27 g/mol
Names and Synonyms:
Bufexamac
Benzeneacetamide, 4-butoxy-N-hydroxy-
Acetohydroxamic acid, 2-(p-butoxyphenyl)-
4-Butoxy-N-hydroxybenzeneacetamide
CP 1044J3
p-Butoxyphenylacethydroxamic acid
4-Butoxyphenylacethydroxamic acid
p-Butoxyphenylacetohydroxamic acid
Droxaryl
Bufexamac
2-(p-Butoxyphenyl)acetohydroxamic acid
Bufexamic acid
Droxarol
Flogocid
Flogocid N plastigel
Parfenal
Parfenac
Anderm
Mofenar
Malipuran
Feximac
Norfemac
Trolab
2-(4-Butoxyphenyl)acetohydroxamic acid
2-(4-Butoxyphenyl)-N-hydroxyacetamide
Identifiers:
SMILES:
CCCCOc1ccc(CC(O)=NO)cc1
InChI:
InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)
Key Properties
Melting Point
154 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 223.27 g/mol | CAS Common Chemistry |
| 223.272 g/mol | RDKit | |
| 223.120843404 g/mol | RDKit | |
| Canonical SMILES | O=C(NO)CC1=CC=C(OCCCC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=MXJWRABVEGLYDG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 154 °C | CAS Common Chemistry |
| Name | Bufexamac | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 62.05 Ų | RDKit |
| LogP | 2.7537000000000003 | RDKit |
| Molar Refractivity | 62.39930000000003 | RDKit |
