主记录
ZINC584655368
- CAS
- 1021430-00-1
- PubChem CID
- 118879084
- SMILES
- CCOC(C1=CC(=C(C=C1Br)OC)OCC2=CC=CC=C2)OCC
- 分子式
- C19H23BrO4
- 分子量
- 395.293
- 精确分子量
- 394.078
- InChI
- InChI=1S/C19H23BrO4/c1-4-22-19(23-5-2)15-11-18(17(21-3)12-16(15)20)24-13-14-9-7-6-8-10-14/h6-12,19H,4-5,13H2,1-3H3
- InChIKey
- IPGCZHCFCOMCJT-UHFFFAOYSA-N
- LogP
- 5.1083
- TPSA
- 36.92
名称与别名
- SCHEMBL17513668
- ZINC584655368
- DB-110978
- 1021430-00-1