Cas no 844699-71-4 (Boronic acid,B-(2,3-difluoro-4-propylphenyl)-)
844699-71-4 structure
Product Name:Boronic acid,B-(2,3-difluoro-4-propylphenyl)-
CAS No:844699-71-4
MF:C9H11BF2O2
MW:199.990249872208
CID:716289
PubChem ID:16719982
Update Time:2025-04-19
Boronic acid,B-(2,3-difluoro-4-propylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Boronic acid,B-(2,3-difluoro-4-propylphenyl)-
- (2,3-difluoro-4-propylphenyl)boronic acid
- Boronic acid, (2,3-difluoro-4-propylphenyl)- (9CI)
- SCHEMBL5405156
- (2,3-Difluoro-4-propylphenyl)-boronic acid
- 2,3-DIFLUORO-4-PROPYLPHENYLBORONIC ACID
- 844699-71-4
- DTXSID40587345
- starbld0018531
- ZOJPSSJWKKPQDM-UHFFFAOYSA-N
-
- Inchi： 1S/C9H11BF2O2/c1-2-3-6-4-5-7(10(13)14)9(12)8(6)11/h4-5,13-14H,2-3H2,1H3
- InChI Key： ZOJPSSJWKKPQDM-UHFFFAOYSA-N
- SMILES： FC1C(=C(B(O)O)C=CC=1CCC)F
Computed Properties
- Exact Mass: 200.0820161g/mol
- Monoisotopic Mass: 200.0820161g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 180
- 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: 40.5?2
Experimental Properties
- PSA: 40.46000
- LogP: 0.59710
Boronic acid,B-(2,3-difluoro-4-propylphenyl)- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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