Cas no 18485-62-6 (9,10-dibromooctadecanoic Acid)
9,10-dibromooctadecanoic Acid structure
Product Name:9,10-dibromooctadecanoic Acid
CAS No:18485-62-6
MF:C18H34Br2O2
MW:442.269364833832
CID:907220
PubChem ID:86827
Update Time:2025-04-19
9,10-dibromooctadecanoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 9,10-dibromooctadecanoic Acid
- (+-)-threo-9,10-Dibrom-octadecansaeure
- (+-)-threo-9,10-dibromo-octadecanoic acid
- 9,10-Dbsa
- 9,10-dibromo-octadecanoic acid
- 9,10-dibromo-stearic acid
- 9,10-Dibromostearic acid
- AC1L3CE8
- AC1Q24AZ
- CTK0I0158
- NSC176176
- AKOS028108284
- CHEBI:165396
- DTXSID30275840
- SCHEMBL9159327
- 19117-94-3
- 910-DIBROMOSTEARICACID
- 18485-62-6
- LMFA01090084
- NSC-176176
- DB-044758
- 9 10-Dibromostearic acid
- Octadecanoic acid, 9,10-dibromo-
-
- Inchi： 1S/C18H34Br2O2/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17H,2-15H2,1H3,(H,21,22)
- InChI Key： UXHXSKUOVZUHBJ-UHFFFAOYSA-N
- SMILES： CCCCCCCCC(C(CCCCCCCC(=O)O)Br)Br
Computed Properties
- Exact Mass: 440.09262
- Monoisotopic Mass: 440.09256g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 16
- Complexity: 260
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
- LogP: 7.07930
9,10-dibromooctadecanoic Acid Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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