Cas no 388072-64-8 (Benzoic acid,3-(chlorocarbonyl)-5-methyl-, methyl ester)
388072-64-8 structure
Product Name:Benzoic acid,3-(chlorocarbonyl)-5-methyl-, methyl ester
CAS No:388072-64-8
MF:C10H9ClO3
MW:212.629662275314
CID:298831
PubChem ID:45081976
Update Time:2025-04-19
Benzoic acid,3-(chlorocarbonyl)-5-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-(chlorocarbonyl)-5-methyl-, methyl ester
- methyl 3-carbonochloridoyl-5-methylbenzoate
- 3-(CHLOROCARBONYL)-5-METHYL-BENZOIC ACID METHYL ESTER
- Methyl 3-(chlorocarbonyl)-5-methylbenzoate
- BENZOIC ACID, 3-(CHLOROCARBONYL)-5-METHYL-, METHYL ESTER (9CI)
- 388072-64-8
- Benzoic acid,3-(chlorocarbonyl)-5-methyl-,methyl ester(9ci)
- DTXSID90665001
-
- Inchi： 1S/C10H9ClO3/c1-6-3-7(9(11)12)5-8(4-6)10(13)14-2/h3-5H,1-2H3
- InChI Key： RKOZJOONHHVMOF-UHFFFAOYSA-N
- SMILES： ClC(C1C=C(C(=O)OC)C=C(C)C=1)=O
Computed Properties
- Exact Mass: 212.02400
- Monoisotopic Mass: 212.024
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 240
- 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: 43.4A^2
- XLogP3: 2.6
Experimental Properties
- PSA: 43.37000
- LogP: 2.16060
Benzoic acid,3-(chlorocarbonyl)-5-methyl-, methyl ester Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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