Cas no 77156-62-8 (2H-1,5-Benzodioxepin-2-carbonylchloride, 3,4-dihydro-)
77156-62-8 structure
Product Name:2H-1,5-Benzodioxepin-2-carbonylchloride, 3,4-dihydro-
CAS No:77156-62-8
MF:C10H9ClO3
MW:212.629662275314
CID:549063
PubChem ID:13723694
Update Time:2025-04-19
2H-1,5-Benzodioxepin-2-carbonylchloride, 3,4-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,5-Benzodioxepin-2-carbonylchloride, 3,4-dihydro-
- 2H-1,5-BENZODIOXEPIN-2-CARBONYL CHLORIDE, 3,4-DIHYDRO
- 3,4-dihydro-2H-1,5-benzodioxepine-4-carbonyl chloride
- 2H-1,5-Benzodioxepin-2-carbonyl chloride, 3,4-dihydro- (7CI,9CI)
- 3,4-Dihydro-2H-benzo[b][1,4]dioxepine-2-carbonylchloride
- DTXSID50547672
- 3,4-Dihydro-2H-1,5-benzodioxepine-2-carbonyl chloride
- 3,4-Dihydro-2H-1,5-benzodioxepin-2-carbonyl chloride
- 2H-1,5-Benzodioxepin-2-carbonyl chloride, 3,4-dihydro-
- 77156-62-8
-
- Inchi： 1S/C10H9ClO3/c11-10(12)9-5-6-13-7-3-1-2-4-8(7)14-9/h1-4,9H,5-6H2
- InChI Key： OQHRZROPXOWOCD-UHFFFAOYSA-N
- SMILES： ClC(C1CCOC2C=CC=CC=2O1)=O
Computed Properties
- Exact Mass: 212.02407
- Monoisotopic Mass: 212.0240218g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 219
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
2H-1,5-Benzodioxepin-2-carbonylchloride, 3,4-dihydro- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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