Cas no 92176-85-7 (1,3-Benzenedicarbonyl dichloride, 5-(4-ethynylphenoxy)-)
92176-85-7 structure
Product Name:1,3-Benzenedicarbonyl dichloride, 5-(4-ethynylphenoxy)-
CAS No:92176-85-7
MF:C16H8Cl2O3
MW:319.138922691345
CID:743237
PubChem ID:13765579
Update Time:2025-04-19
1,3-Benzenedicarbonyl dichloride, 5-(4-ethynylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarbonyl dichloride, 5-(4-ethynylphenoxy)-
- 5-(4-ethynylphenoxy)benzene-1,3-dicarbonyl chloride
- SCHEMBL5000739
- 5-(4-Ethynylphenoxy)benzene-1,3-dicarbonyl dichloride
- 92176-85-7
- DTXSID80548859
-
- Inchi： 1S/C16H8Cl2O3/c1-2-10-3-5-13(6-4-10)21-14-8-11(15(17)19)7-12(9-14)16(18)20/h1,3-9H
- InChI Key： ZLXNNWJYUZEWSC-UHFFFAOYSA-N
- SMILES： ClC(C1C=C(C(=O)Cl)C=C(C=1)OC1C=CC(C#C)=CC=1)=O
Computed Properties
- Exact Mass: 317.9850495g/mol
- Monoisotopic Mass: 317.9850495g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 424
- 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: 4.7
- Topological Polar Surface Area: 43.4?2
1,3-Benzenedicarbonyl dichloride, 5-(4-ethynylphenoxy)- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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