Cas no 68872-14-0 (1,3-BENZENEDICARBOXYLIC ACID, 5-(CHLOROCARBONYL)-, DIMETHYL ESTER)
68872-14-0 structure
Product Name:1,3-BENZENEDICARBOXYLIC ACID, 5-(CHLOROCARBONYL)-, DIMETHYL ESTER
CAS No:68872-14-0
MF:C11H9ClO5
MW:256.639162778854
CID:3185516
PubChem ID:44474925
Update Time:2025-04-21
1,3-BENZENEDICARBOXYLIC ACID, 5-(CHLOROCARBONYL)-, DIMETHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- 1,3-BENZENEDICARBOXYLIC ACID, 5-(CHLOROCARBONYL)-, DIMETHYL ESTER
- 3,5-dicarbomethoxybenzoyl chloride
- SCHEMBL4531505
- DB-196105
- 68872-14-0
- 5-(Chlorocarbonyl)-1,3-benzenedicarboxylic acid 1,3-dimethyl ester
-
- Inchi： 1S/C11H9ClO5/c1-16-10(14)7-3-6(9(12)13)4-8(5-7)11(15)17-2/h3-5H,1-2H3
- InChI Key： SFFXPMAKALOOGP-UHFFFAOYSA-N
- SMILES： ClC(C1C=C(C(=O)OC)C=C(C(=O)OC)C=1)=O
Computed Properties
- Exact Mass: 256.0138511Da
- Monoisotopic Mass: 256.0138511Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 304
- 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: 2.1
- Topological Polar Surface Area: 69.7?2
1,3-BENZENEDICARBOXYLIC ACID, 5-(CHLOROCARBONYL)-, DIMETHYL ESTER Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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