Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester
Basic information
- CAS
55661-43-3- Standard SMILES
O=NN(CCCl)C(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
DAJARBUJEJVGDQ-UHFFFAOYSA-N- Molecular formula
- C9H8ClN3O5
- Average molar mass
- 273.63 g/mol
- Monoisotopic mass
- 273.0152481
Overview
structure given in first source
Names & identifiers
- Preferred name
- Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) N-(2-chloroethyl)-N-nitrosocarbamate
- English name
- 4-nitrophenyl-N-(2-chloroethyl)carbamate
- Molecular formula
- C9H8ClN3O5
- Molecular weight
- 273.63
Names & synonyms
55661-43-34-Nitrophenyl-N-(2-chloroethyl)carbamateNPCECRefChem:918013Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester(4-nitrophenyl) N-(2-chloroethyl)-N-nitrosocarbamate4-Nitrophenyl (2-chloroethyl)(nitroso)carbamateICIG 1733BRN 2298996(2-Chloroethyl)nitrosocarbamic acid p-nitrophenyl esterN-(Chloro-2 ethyl) N-nitrosocarbamate de p-nitrophenyle [French]CHEMBL50202
Show more names
ICIG-1733p-nitrophenyl N-(2-chloroethyl)-N-nitroso-carbamateNitroso(2-chloroethyl)carbamic acid 4-nitrophenyl ester4-NITROPHENYL (2-CHLOROETHYL)(NITROSO)CARBAMATE(WXG02728)N-(2-Chloroethyl)-N-nitrosocarbamic acid p-nitrophenyl esterCarbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester (9CI)
N-(Chloro-2 ethyl) N-nitrosocarbamate de p-nitrophenyleSCHEMBL10881278DTXSID10971015DAJARBUJEJVGDQ-UHFFFAOYSA-NCARBAMIC ACID, (2-CHLOROETHYL)NITROSO-, p-NITROPHENYL ESTERAKOS0252871174-nitrophenyl (2-chloroethyl)nitrosocarbamatep-nitrophenyl N-(2-chloroethyl)-N-nitrosocarbamate
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Melting point
- 114 · 114-116 °C(Solv: ethanol (64-17-5))
- Boiling point
- 395.6 · 395.6±52.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- -3.53 · -3.53±0.70(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…