Methyl (4-methyl-2-nitrophenyl)carbamate
Basic information
- CAS
29111-73-7- Standard SMILES
COC(=O)Nc1ccc(C)cc1[N+](=O)[O-]- InChIKey
ZVDQXXVABSAEGK-UHFFFAOYSA-N- Molecular formula
- C9H10N2O4
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.0640568
Names & identifiers
- Preferred name
- Methyl (4-methyl-2-nitrophenyl)carbamate
- IUPAC
- methyl N-(4-methyl-2-nitrophenyl)carbamate
- English name
- 4-(N-Acetyl)amino-3-nitrotoluene
- Molecular formula
- C9H10N2O4
- Molecular weight
- 210.19
Names & synonyms
methyl (4-methyl-2-nitrophenyl)carbamatemethyl N-(4-methyl-2-nitrophenyl)carbamateNSC171064SCHEMBL10889343DTXSID40951704STK442240AKOS001022203NSC-171064ST50928588methoxy-N-(4-methyl-2-nitrophenyl)carboxamideSR-01000256955SR-01000256955-1
Show more names
4-METHYL-2-NITRO ACETANILIDE4-(N-Acetyl)amino-3-nitrotolueneN-(4-methyl-2-nitrophenyl)carbamic acid methyl esterCarbamic acid, N-(4-methyl-2-nitrophenyl)-, methyl ester
Methyl hydrogen (4-methyl-2-nitrophenyl)carbonimidateZ56754691
Database identifiers
- CAS
29111-73-7- PubChem CID
- 298749
- DTXSID
DTXSID40951704
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 289.7 · 289.7±33.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- pka
- 12.58 · 12.58±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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