Basic information
- CAS
6973-78-0- Standard SMILES
CCOC(=O)C(CC)c1ccc([N+](=O)[O-])cc1- InChIKey
LBEVBNULNXDPFP-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- Ethyl 2-(4-nitrophenyl)butanoate
- IUPAC
- ethyl 2-(4-nitrophenyl)butanoate
- English name
- ethyl 2-(4-nitrophenyl)butanoate
- Molecular formula
- C12H15NO4
- Molecular weight
- 237.25
Names & synonyms
ethyl 2-(4-nitrophenyl)butanoate6973-78-0Indobufen Impurity 14NSC 41162NSC41162Indobufen Impurity N1SCHEMBL5026928SCHEMBL11038742DTXSID30285242LBEVBNULNXDPFP-UHFFFAOYSA-Nethyl 2-(4-nitrophenyl)-n-butyrateNSC-41162
Show more names
Indobufen Impurity 33Indobufen Impurity 11Benzeneacetic acid, a-ethyl-4-nitro-, ethyl esterBenzeneacetic acid, α-ethyl-4-nitro-, ethyl ester
ethyl alpha-(4-nitrophenyl)-butyrateDB-171051
Database identifiers
- CAS
6973-78-0- PubChem CID
- 237528
- DTXSID
DTXSID30285242- EC Number
- 615-000-1
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 93 · 93-94 °C(Press: 0.01 Torr)
- Density
- 1.1341 g/cm3 · 1.1341 g/cm3(Temp: 27.5 °C)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers19 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
山东博洛达生物科技有限公司0531-68659041 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
湖北瑞诺医药科技有限公司13165688766 · [email protected]
北京爱科姆科技有限公司17710328343 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
Related reactions
9 records
Compound notes
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