Cas no 481075-48-3 (BENZOIC ACID, 5-(HYDROXYMETHYL)-2-(TRIFLUOROMETHYL)-)
481075-48-3 structure
Product Name:BENZOIC ACID, 5-(HYDROXYMETHYL)-2-(TRIFLUOROMETHYL)-
CAS No:481075-48-3
MF:C9H7F3O3
MW:220.145293474197
CID:3392490
PubChem ID:10867785
Update Time:2025-04-21
BENZOIC ACID, 5-(HYDROXYMETHYL)-2-(TRIFLUOROMETHYL)- Chemical and Physical Properties
Names and Identifiers
-
- BENZOIC ACID, 5-(HYDROXYMETHYL)-2-(TRIFLUOROMETHYL)-
- 5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid
- 481075-48-3
- SCHEMBL15276310
- AKOS026669993
- DB-095061
- 5-Hydroxymethyl-2-(trifluoromethyl)benzoic acid
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- Inchi： 1S/C9H7F3O3/c10-9(11,12)7-2-1-5(4-13)3-6(7)8(14)15/h1-3,13H,4H2,(H,14,15)
- InChI Key： WCFHUCMAVPPJSC-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=CC(CO)=CC=C1C(F)(F)F
Computed Properties
- Exact Mass: 220.03472857Da
- Monoisotopic Mass: 220.03472857Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 239
- 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: 1.4
- Topological Polar Surface Area: 57.5?2
BENZOIC ACID, 5-(HYDROXYMETHYL)-2-(TRIFLUOROMETHYL)- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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