1-Bromo-4-isopropyl-2-nitrobenzene
Completing data — refresh the page later to see the latest
Basic information
- CAS
204850-14-6- Standard SMILES
CC(C)c1ccc(Br)c([N+](=O)[O-])c1- InChIKey
OGFXLLXRXBRDEN-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO2
- Average molar mass
- 244.08 g/mol
- Monoisotopic mass
- 242.98949066
Names & identifiers
- Preferred name
- 1-Bromo-4-isopropyl-2-nitrobenzene
- IUPAC
- 1-bromo-2-nitro-4-propan-2-ylbenzene
- English name
- 1-BroMo-4-isopropyl-2-nitrobenzene
- Molecular formula
- C9H10BrNO2
- Molecular weight
- 244.09
Names & synonyms
1-bromo-4-isopropyl-2-nitrobenzene204850-14-61-bromo-2-nitro-4-propan-2-ylbenzeneSCHEMBL1455781SCHEMBL16957059SCHEMBL169570624-isopropyl-2-nitro-bromobenzeneDTXSID40615672OGFXLLXRXBRDEN-UHFFFAOYSA-NMFCD23135358AKOS016004211SY526731
Show more names
Benzene, 1-bromo-4-(1-methylethyl)-2-nitro-
1-Bromo-2-nitro-4-(propan-2-yl)benzeneDB-337153
Database identifiers
- CAS
204850-14-6- PubChem CID
- 21531815
- DTXSID
DTXSID40615672
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 263.3 · 263.3±28.0 °C(Predicted)
- Density
- 1.456 · 1.456±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
6 records
Compound notes
Loading…