Cas no 2444-29-3 (Benzene,1-methyl-2-(4-nitrophenoxy)-)
2444-29-3 structure
Product Name:Benzene,1-methyl-2-(4-nitrophenoxy)-
CAS No:2444-29-3
MF:C13H11NO3
MW:229.231343507767
CID:272768
PubChem ID:17123
Update Time:2025-04-19
Benzene,1-methyl-2-(4-nitrophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-methyl-2-(4-nitrophenoxy)-
- 1-methyl-2-(4-nitrophenoxy)benzene
- 2-Methylphenyl 4-nitrophenyl ether
- Ether, p-nitrophenyl o-tolyl
- DTXSID90179193
- Q27288743
- P-NITROPHENYL O-TOLYL ETHER
- 2444-29-3
- 2-METHYLPHENYL 4-NITROPHENYL ETHER [HSDB]
- Benzene, 1-methyl-2-(4-nitrophenoxy)-
- S6YC64171R
- UNII-S6YC64171R
- SCHEMBL4378038
- HSDB 2838
-
- Inchi: 1S/C13H11NO3/c1-10-4-2-3-5-13(10)17-12-8-6-11(7-9-12)14(15)16/h2-9H,1H3
- InChI Key: CUOZZRROMKDJFD-UHFFFAOYSA-N
- SMILES: O(C1C=CC(=CC=1)[N+](=O)[O-])C1C=CC=CC=1C
Computed Properties
- Exact Mass: 229.07393
- Monoisotopic Mass: 229.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 256
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 55A^2
Experimental Properties
- Density: 1.218
- Boiling Point: 328.3°C at 760 mmHg
- Flash Point: 137.9°C
- Refractive Index: 1.596
- PSA: 52.37
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