Cas no 42854-99-9 (o-nitrobenzyloxycarbonyl chloride)
42854-99-9 structure
Product Name:o-nitrobenzyloxycarbonyl chloride
CAS No:42854-99-9
MF:C8H6ClNO4
MW:215.590541362762
CID:2638354
PubChem ID:11020280
Update Time:2025-04-21
o-nitrobenzyloxycarbonyl chloride Chemical and Physical Properties
Names and Identifiers
-
- o-nitrobenzyloxycarbonyl chloride
- o-nitrobenzyl chloroformate;[(2-Nitrobenzyl)oxy]carbonyl chloride;nitrobenzyl chloroformate;[(2-Nitrobenzyl)oxy]chloroformate;o-nitrocarbobenzyloxy chloride;(chlorocarbonyloxymethyl)-2-nitrobenzene;
- 2-nitrobenzyl carbonochloridate
- 42854-99-9
- PDWUDQKIQYSAEA-UHFFFAOYSA-N
- SCHEMBL258506
- o-nitrobenzyl chloroformate
-
- Inchi: 1S/C8H6ClNO4/c9-8(11)14-5-6-3-1-2-4-7(6)10(12)13/h1-4H,5H2
- InChI Key: PDWUDQKIQYSAEA-UHFFFAOYSA-N
- SMILES: ClC(=O)OCC1C=CC=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 214.99900
- Monoisotopic Mass: 214.9985354Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 228
- 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: 2.9
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- PSA: 72.12000
- LogP: 2.99340
o-nitrobenzyloxycarbonyl chloride Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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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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