Cas no 1379440-25-1 ((S)-2-(2,6-Difluorophenyl)-2-hydroxyacetic acid)
1379440-25-1 structure
Product Name:(S)-2-(2,6-Difluorophenyl)-2-hydroxyacetic acid
CAS No:1379440-25-1
MF:C8H6F2O3
MW:188.128249645233
CID:4697899
PubChem ID:6951372
Update Time:2024-03-01
(S)-2-(2,6-Difluorophenyl)-2-hydroxyacetic acid Chemical and Physical Properties
Names and Identifiers
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- (S)-2-(2,6-Difluorophenyl)-2-hydroxyacetic acid
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- Inchi： 1S/C8H6F2O3/c9-4-2-1-3-5(10)6(4)7(11)8(12)13/h1-3,7,11H,(H,12,13)/t7-/m0/s1
- InChI Key： BMZWDQNFSCPFCG-ZETCQYMHSA-N
- SMILES： FC1C=CC=C(C=1[C@@H](C(=O)O)O)F
Computed Properties
- Exact Mass: 188.02850037 g/mol
- Monoisotopic Mass: 188.02850037 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 188
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 57.5
- Molecular Weight: 188.13
(S)-2-(2,6-Difluorophenyl)-2-hydroxyacetic acid Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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