Basic information
- CAS
2621-84-3- Standard SMILES
CCOC(=O)Nc1ccccc1[N+](=O)[O-]- InChIKey
AUDONQPVYRSJNX-UHFFFAOYSA-N- Molecular formula
- C9H10N2O4
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.0640568
Names & identifiers
- Preferred name
- 2-Nitrophenylurethane
- IUPAC
- ethyl N-(2-nitrophenyl)carbamate
- English name
- o-Nitrocarbanilic acid ethyl ester
- Molecular formula
- C9H10N2O4
- Molecular weight
- 210.19
Names & synonyms
2-Nitrophenylurethaneethyl N-(2-nitrophenyl)carbamate2621-84-3Carbanilic acid, o-nitro-, ethyl esterCarbamic acid, (2-nitrophenyl)-, ethyl esterN-(Ethoxycarbonyl)-2-nitroanilineNSC63361o-nitrophenyl urethaneEthyl 2-nitrophenylcarbamateNCIOpen2_002794Ethyl 2-nitrophenylcarbamate #SCHEMBL6535747
Show more names
o-Nitrocarbanilic acid ethyl estero-Nitrophenylcarbamic acid ethyl ester(2-Nitrophenyl)carbamic acid ethyl esterCarbamic acid, N-(2-nitrophenyl)-, ethyl ester
DTXSID40949085ethoxy-N-(2-nitrophenyl)carboxamideNSC-63361o-Nitro carbanilic acid, ethyl esterAKOS002964291ST012360Ethyl hydrogen (2-nitrophenyl)carbonimidateSR-01000030914
Database identifiers
- CAS
2621-84-3- PubChem CID
- 247904
- DTXSID
DTXSID40949085- Nikkaji
- J31.236C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- InChI
- 1S/C9H10N2O4/c1-2-15-9(12)10-7-5-3-4-6-8(7)11(13)14/h3-6H,2H2,1H3,(H,10,12)
- SMILES
- [O-][N+](C1=CC=CC=C1NC(OCC)=O)=O
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
6 records
Compound notes
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