Cas no 62172-91-2 (Benzoic acid, 2,3,5,6-tetrafluoro-4-(methoxymethyl)-, methyl ester)
62172-91-2 structure
Product Name:Benzoic acid, 2,3,5,6-tetrafluoro-4-(methoxymethyl)-, methyl ester
CAS No:62172-91-2
MF:C10H8F4O3
MW:252.162337303162
CID:455589
PubChem ID:13911470
Update Time:2025-04-19
Benzoic acid, 2,3,5,6-tetrafluoro-4-(methoxymethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,3,5,6-tetrafluoro-4-(methoxymethyl)-, methyl ester
- methyl 2,3,5,6-tetrafluoro-4-(methoxymethyl)benzoate
- 62172-91-2
- DTXSID00552377
- SCHEMBL9766021
-
- Inchi： 1S/C10H8F4O3/c1-16-3-4-6(11)8(13)5(10(15)17-2)9(14)7(4)12/h3H2,1-2H3
- InChI Key： XFKJMUMELCMHQE-UHFFFAOYSA-N
- SMILES： FC1C(=C(C(=O)OC)C(=C(C=1COC)F)F)F
Computed Properties
- Exact Mass: 252.04094
- Monoisotopic Mass: 252.04095676g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 260
- 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: 1.8
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Benzoic acid, 2,3,5,6-tetrafluoro-4-(methoxymethyl)-, methyl ester Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
62172-91-2 (Benzoic acid, 2,3,5,6-tetrafluoro-4-(methoxymethyl)-, methyl ester) Related Products
- 362601-90-9(Methyl 2,5-difluorobenzoate)
- 586374-04-1(2-Fluoro-3-methylbenzoic acid methyl ester)
- 106614-28-2(Methyl 2,4-difluorobenzoate)
- 2967-93-3(Methyl 2-fluoro-5-methylbenzoate)
- 36629-42-2(Methyl pentafluorobenzoate)
- 122894-73-9(Ethyl 2,3,4,5-tetrafluorobenzoate)
- 4522-93-4(Ethyl pentafluorobenzoate)
- 13671-00-6(Methyl 2,6-difluorobenzoate)
- 394-35-4(Methyl 2-fluorobenzoate)
- 20372-66-1(Methyl 2,4,5-trifluorobenzoate)
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