Cas no 76015-47-9 (1,3-Benzodioxole-5-carbonyl chloride, 7-methoxy- (9CI))
76015-47-9 structure
Product Name:1,3-Benzodioxole-5-carbonyl chloride, 7-methoxy- (9CI)
CAS No:76015-47-9
MF:C9H7ClO4
MW:214.60248208046
CID:560839
PubChem ID:45081255
Update Time:2025-04-19
1,3-Benzodioxole-5-carbonyl chloride, 7-methoxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole-5-carbonyl chloride, 7-methoxy- (9CI)
- Myristicoylchloride
- 1,3-Benzodioxole-5-carbonylchloride, 7-methoxy-
- 7-methoxy-1,3-benzodioxole-5-carbonyl chloride
- FOIIGBZKBPCMII-UHFFFAOYSA-N
- 3,4-methylenedioxy-5-methoxy-benzoyl chloride
- 76015-47-9
- DTXSID90664473
- SCHEMBL4940987
- 1,3-Benzodioxole-5-carbonyl chloride,7-methoxy-(9ci)
- 7-Methoxy-2H-1,3-benzodioxole-5-carbonyl chloride
-
- Inchi： 1S/C9H7ClO4/c1-12-6-2-5(9(10)11)3-7-8(6)14-4-13-7/h2-3H,4H2,1H3
- InChI Key： FOIIGBZKBPCMII-UHFFFAOYSA-N
- SMILES： ClC(C1C=C(C2=C(C=1)OCO2)OC)=O
Computed Properties
- Exact Mass: 214.003
- Monoisotopic Mass: 214.003
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 233
- 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
- Topological Polar Surface Area: 44.8A^2
- XLogP3: 2.2
1,3-Benzodioxole-5-carbonyl chloride, 7-methoxy- (9CI) Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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