Benzene, 1-(1-methylbutoxy)-4-nitro-
Basic information
- CAS
137873-52-0- Standard SMILES
CCCC(C)Oc1ccc([N+](=O)[O-])cc1- InChIKey
NSFMUSRZPDMRQD-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- Benzene, 1-(1-methylbutoxy)-4-nitro-
- IUPAC
- 1-nitro-4-pentan-2-yloxybenzene
Names & synonyms
Benzene, 1-(1-methylbutoxy)-4-nitro-137873-52-0DTXSID80888641RefChem:562354DTXCID501027917SCHEMBL8515847NSFMUSRZPDMRQD-UHFFFAOYSA-N1-Nitro-4-[(pentan-2-yl)oxy]benzene
Database identifiers
- CAS
137873-52-0- PubChem CID
- 86238
- DTXSID
DTXSID80888641- Nikkaji
- J1.565.743J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 194
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-(1-methylbutoxy)-4-nitro-: ACTIVE
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Related reactions
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Compound notes
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