Cas no 119916-27-7 (Benzoic acid,4,6-dibromo-3-fluoro-2-methyl-)
119916-27-7 structure
Product Name:Benzoic acid,4,6-dibromo-3-fluoro-2-methyl-
CAS No:119916-27-7
MF:C8H5Br2FO2
MW:311.930504560471
CID:132330
PubChem ID:14651282
Update Time:2025-04-19
Benzoic acid,4,6-dibromo-3-fluoro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4,6-dibromo-3-fluoro-2-methyl-
- 4,6-DIBROMO-3-FLUORO-O-TOLUIC ACID
- 4,6-Dibromo-3-fluoro-2-methyl-benzoic acid
- 2-methyl-3-fluoro-4,6-dibromobenzoic acid
- SCHEMBL7509923
- 4,6-Dibromo-3-fluoro-2-methylbenzoic acid
- LIYAGAIAFFAGOR-UHFFFAOYSA-N
- 119916-27-7
-
- Inchi： 1S/C8H5Br2FO2/c1-3-6(8(12)13)4(9)2-5(10)7(3)11/h2H,1H3,(H,12,13)
- InChI Key： LIYAGAIAFFAGOR-UHFFFAOYSA-N
- SMILES： BrC1=CC(=C(C(C)=C1C(=O)O)F)Br
Computed Properties
- Exact Mass: 311.86198g/mol
- Monoisotopic Mass: 309.86403g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 212
- 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: 3.3
- Topological Polar Surface Area: 37.3?2
Benzoic acid,4,6-dibromo-3-fluoro-2-methyl- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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