Cas no 17399-23-4 ( )
structure
Product Name:
CAS No:17399-23-4
MF:C15H15NO4
MW:273.283904314041
CID:905996
PubChem ID:293841
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-nitro-3-(3-phenoxypropoxy)benzene
- AC1L6L34
- AC1Q2131
- AG-J-62822
- AR-1C4863
- CTK4D4845
- NSC161083
- DTXSID10303776
- 17399-23-4
- AKOS008872996
- NSC-161083
-
-
- Inchi： 1S/C15H15NO4/c17-16(18)13-6-4-9-15(12-13)20-11-5-10-19-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2
- InChI Key： JCXYOTRMYJMLSI-UHFFFAOYSA-N
- SMILES： O(C1C=CC=C(C=1)[N+](=O)[O-])CCCOC1C=CC=CC=1
Computed Properties
- Exact Mass: 273.10015
- Monoisotopic Mass: 273.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 286
- 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: 4.2
- Topological Polar Surface Area: 64.3?2
Experimental Properties
- Density: 1.205
- Boiling Point: 421.9°C at 760 mmHg
- Flash Point: 179.4°C
- Refractive Index: 1.575
- PSA: 61.6
Related Literature
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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