Cas no 481075-44-9 (BENZOIC ACID, 3-(HYDROXYMETHYL)-2-(TRIFLUOROMETHYL)-)
481075-44-9 structure
Product Name:BENZOIC ACID, 3-(HYDROXYMETHYL)-2-(TRIFLUOROMETHYL)-
CAS No:481075-44-9
MF:C9H7F3O3
MW:220.145293474197
CID:3390459
PubChem ID:11138627
Update Time:2025-04-21
BENZOIC ACID, 3-(HYDROXYMETHYL)-2-(TRIFLUOROMETHYL)- Chemical and Physical Properties
Names and Identifiers
-
- BENZOIC ACID, 3-(HYDROXYMETHYL)-2-(TRIFLUOROMETHYL)-
- 3-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid
- 3-Hydroxymethyl-2-(trifluoromethyl)benzoic acid
- AKOS026669984
- CCDGLZSHUSAYFW-UHFFFAOYSA-N
- 481075-44-9
- 2-(Trifluoromethyl)-3-(hydroxymethyl)benzoic acid
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- Inchi： 1S/C9H7F3O3/c10-9(11,12)7-5(4-13)2-1-3-6(7)8(14)15/h1-3,13H,4H2,(H,14,15)
- InChI Key： CCDGLZSHUSAYFW-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=CC=CC(CO)=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, 3-(HYDROXYMETHYL)-2-(TRIFLUOROMETHYL)- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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