Cas no 175448-31-4 (3-chloro-2-hydroxy-N-[(1S,6R)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide)
![3-chloro-2-hydroxy-N-[(1S,6R)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide structure](https://ossimg.kuujia.com/scimg/175500/175448-31-4x500.png)
175448-31-4 structure
Product Name:3-chloro-2-hydroxy-N-[(1S,6R)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
CAS No:175448-31-4
MF:C14H10ClNO6
MW:323.685303211212
CID:1368132
PubChem ID:3075330
Update Time:2025-04-20
3-chloro-2-hydroxy-N-[(1S,6R)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide Chemical and Physical Properties
Names and Identifiers
-
- 3-chloro-2-hydroxy-N-[(1S,6R)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
- 175448-31-4
- CHEBI:224837
- Benzamide, 3-chloro-2-hydroxy-N-(6-(hydroxymethyl)-2,5-dioxo-7-oxoabicyclo(4.1.0)hept-3-en-3-yl)-, (1S)-
- 3-Chloro-2-hydroxy-N-[6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzene-1-carboximidic acid
- Epoxyquinomicin A
- DTXSID50938667
- Epoxyguinomicin A
- Benzamide, 3-chloro-2-hydroxy-N-[(1S,6R)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-
-
- Inchi： 1S/C14H10ClNO6/c15-7-3-1-2-6(10(7)19)13(21)16-8-4-9(18)14(5-17)12(22-14)11(8)20/h1-4,12,17,19H,5H2,(H,16,21)/t12-,14+/m1/s1
- InChI Key： WJXATQQNIQELOK-OCCSQVGLSA-N
- SMILES： ClC1=CC=CC(=C1O)C(NC1=CC([C@@]2(CO)[C@@H](C1=O)O2)=O)=O
Computed Properties
- Exact Mass: 323.0197
- Monoisotopic Mass: 323.02
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 576
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 116?2
Experimental Properties
- Density: 1.71
- Boiling Point: 636.5°C at 760 mmHg
- Flash Point: 338.7°C
- Refractive Index: 1.702
- PSA: 116.23
3-chloro-2-hydroxy-N-[(1S,6R)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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