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2-Cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)Ph]-1H-pyrrol-3-yl}acrylic acid
结构式
基本信息
Empirical Formula【经验(实验)分子式】 | C17H13F3N2O2 |
Molecular weight | 334.29 |
MDL number | MFCD04638791 |
PubChem Substance ID【PubChem化学物质编号】 | 329799562 |
Other Notes【其他说明】 | Please note that sigma-aldrich provides this product to early discovery researchers as part of a collection of unique chemicals. sigma-aldrich does not collect analytical data for this product. Buyer assumes responsibility to confirm product identity and/or purity. All sales are final. NOTWITHSTANDING ANY CONTRARY PROVISION CONTAINED IN SIGMA-ALDRICH′S STANDARD TERMS AND CONDITIONS OF SALE OR AN AGREEMENT BETWEEN SIGMA-ALDRICH AND BUYER, SIGMA-ALDRICH SELLS THIS PRODUCT "AS-IS" AND MAKES NO REPRESENTATION OR WARRANTY WHATSOEVER WITH RESPECT TO THIS PRODUCT, INCLUDING ANY (A) WARRANTY OF MERCHANTABILITY, (B) WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE, OR (C) WARRANTY AGAINST INFRINGEMENT OF INTELLECTUAL PROPERTY RIGHTS OF A THIRD PARTY, WHETHER ARISING BY LAW, COURSE OF DEALING, COURSE OF PERFORMANCE, USAGE OF TRADE OR OTHERWISE. |
产品性质
SMILES string | N#C/C(C(O)=O)=C/C1=C(C)N(C2=CC(C(F)(F)F)=CC=C2)C(C)=C1 |
InChI | 1S/C17H13F3N2O2/c1-10-6-12(7-13(9-21)16(23)24)11(2)22(10)15-5-3-4-14(8-15)17(18,19)20/h3-8H,1-2H3,(H,23,24)/b13-7- |
InChI key | XVDPUDQRMRIJHA-QPEQYQDCSA-N |
安全信息
Storage Class Code【储存分类代码】 | 13 - Non Combustible Solids |
WGK | WGK 3 |