Cas no 17077-93-9 (4-(4,6-Dichloropyrimidin-2-yl)benzoic acid)
17077-93-9 structure
Product Name:4-(4,6-Dichloropyrimidin-2-yl)benzoic acid
CAS No:17077-93-9
MF:C11H6Cl2N2O2
MW:269.083540439606
CID:2781846
PubChem ID:71350162
Update Time:2025-04-21
4-(4,6-Dichloropyrimidin-2-yl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-(4,6-Dichloropyrimidin-2-yl)benzoic acid
- DTXSID70775975
- 17077-93-9
-
- Inchi： 1S/C11H6Cl2N2O2/c12-8-5-9(13)15-10(14-8)6-1-3-7(4-2-6)11(16)17/h1-5H,(H,16,17)
- InChI Key： XGWGBILTQQQDOZ-UHFFFAOYSA-N
- SMILES： ClC1=CC(=NC(C2C=CC(C(=O)O)=CC=2)=N1)Cl
Computed Properties
- Exact Mass: 267.9806328Da
- Monoisotopic Mass: 267.9806328Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 273
- 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: 3.7
- Topological Polar Surface Area: 63.1?2
4-(4,6-Dichloropyrimidin-2-yl)benzoic acid Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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