Cas no 37983-98-5 (BENZENE,1-(4-CHLOROPHENOXY)-3-NITRO)
37983-98-5 structure
Product Name:BENZENE,1-(4-CHLOROPHENOXY)-3-NITRO
CAS No:37983-98-5
MF:C12H8ClNO3
MW:249.649822235107
CID:1016187
PubChem ID:12194074
Update Time:2025-04-20
BENZENE,1-(4-CHLOROPHENOXY)-3-NITRO Chemical and Physical Properties
Names and Identifiers
-
- BENZENE,1-(4-CHLOROPHENOXY)-3-NITRO
- Benzene, 1-?(4-?chlorophenoxy)?-?3-?nitro-
- 1-(4-CHLOROPHENOXY)-3-NITROBENZENE
- 37983-98-5
- DS-020185
- D87797
- SCHEMBL9645513
-
- Inchi： 1S/C12H8ClNO3/c13-9-4-6-11(7-5-9)17-12-3-1-2-10(8-12)14(15)16/h1-8H
- InChI Key： XXDVWHYRZNCZRR-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)OC1C=CC=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 249.01934
- Monoisotopic Mass: 249.0192708g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 261
- 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: 4.3
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 52.37
BENZENE,1-(4-CHLOROPHENOXY)-3-NITRO Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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