Benzene, 1,3-dimethyl-5-(4-nitrophenoxy)-
Basic information
- CAS
1630-17-7- Standard SMILES
Cc1cc(C)cc(Oc2ccc([N+](=O)[O-])cc2)c1- InChIKey
KEOPWKJOJXPFCA-UHFFFAOYSA-N- Molecular formula
- C14H13NO3
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.08954328
Names & identifiers
- Preferred name
- Benzene, 1,3-dimethyl-5-(4-nitrophenoxy)-
- IUPAC
- 1,3-dimethyl-5-(4-nitrophenoxy)benzene
- English name
- DMNP
- Molecular formula
- C14H13NO3
- Molecular weight
- 243.26
Names & synonyms
1,3-Dimethyl-5-(4-nitrophenoxy)benzene1630-17-7Benzene, 1,3-dimethyl-5-(4-nitrophenoxy)-DTXSID5075103RefChem:323374DTXCID6035237DMNP3,5-dimethylphenyl 4-nitrophenyl ether5-(4-nitrophenoxy) m-xyleneSCHEMBL1323759ALBB-034772AKOS021982745
Show more names
Farmaid1-(4-Nitrophenoxy)-3,5-dimethylbenzene3,5-Dimethylphenyl(4-nitrophenyl) ether
HS-6291H47931
Database identifiers
- CAS
1630-17-7- PubChem CID
- 15397
- DTXSID
DTXSID5075103- Nikkaji
- J7.536A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 59 °C · 59 °C
- Boiling point
- 348.2 · 348.2±27.0 °C(Predicted)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · Benzene, 1,3-dimethyl-5-(4-nitrophenoxy)- (1630-17-7)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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