Cas no 7357-56-4 (Decanoic acid,2-bromo-, methyl ester)
7357-56-4 structure
Product Name:Decanoic acid,2-bromo-, methyl ester
CAS No:7357-56-4
MF:C11H21BrO2
MW:265.18724322319
CID:572419
PubChem ID:232333
Update Time:2025-04-19
Decanoic acid,2-bromo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Decanoic acid,2-bromo-, methyl ester
- METHYL 2-BROMODECANOATE
- 2-Brom-caprinsaeure-methylester
- 2-Bromdecansaeuremethylester
- 2-bromo-decanoic acid methyl ester
- BTVBXISZWGMHEN-UHFFFAOYSA-N
- DTXSID80283096
- 7357-56-4
- NSC-29654
- NSC29654
- SCHEMBL10979746
- FT-0628439
-
- Inchi： 1S/C11H21BrO2/c1-3-4-5-6-7-8-9-10(12)11(13)14-2/h10H,3-9H2,1-2H3
- InChI Key： BTVBXISZWGMHEN-UHFFFAOYSA-N
- SMILES： BrC(C(=O)OC)CCCCCCCC
Computed Properties
- Exact Mass: 264.07200
- Monoisotopic Mass: 264.07249g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 148
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 3.67350
Decanoic acid,2-bromo-, methyl ester Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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