Cas no 4122-27-4 (6-chloro-2-fluoro-3-methylbenzoic Acid)
4122-27-4 structure
Product Name:6-chloro-2-fluoro-3-methylbenzoic Acid
CAS No:4122-27-4
MF:C8H6ClFO2
MW:188.583445072174
CID:1515803
PubChem ID:2773669
Update Time:2025-04-21
6-chloro-2-fluoro-3-methylbenzoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 6-chloro-2-fluoro-3-methylbenzoic Acid
- HLQCBMOWEQKVBL-UHFFFAOYSA-N
- AS-35870
- 4122-27-4
- 6-chloro-2-fluoro-3-methyl-benzoic Acid
- CS-0313019
- 6-CHLORO-2-FLUORO-3-METHYLBENZOICACID
- MFCD01631369
- 32890-90-7
- SCHEMBL3829091
- DB-048293
- DTXSID50954549
- AKOS005257967
- A821494
-
- Inchi： 1S/C8H6ClFO2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
- InChI Key： HLQCBMOWEQKVBL-UHFFFAOYSA-N
- SMILES： ClC1C=CC(C)=C(C=1C(=O)O)F
Computed Properties
- Exact Mass: 188.0040353g/mol
- Monoisotopic Mass: 188.0040353g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 186
- 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: 2.5
- Topological Polar Surface Area: 37.3?2
6-chloro-2-fluoro-3-methylbenzoic Acid Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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