uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07692006B2
查看![2-Fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzonitrile 分子结构式](/api/mol/24811739/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- N#Cc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
- InChIKey
- LCPWJQRZOHAMOZ-UHFFFAOYSA-N
- 分子式
- C16H10FN3O
- 平均分子量
- 279.27 g/mol
- 单同位素质量
- 279.08079011
COMPUTED
结构计算性质
- XLogP
- 2.4
- 极性表面积
- 65.3 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 2
- 重原子
- 21
- 形式电荷
- 0
- 复杂度
- 495
GHS
GHS分类
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P261, P272, P280, P302+P352, P319, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
HAZARDS
危害信息
Hazard Classes and Categories
Skin Sens. 1 (100%)；STOT RE 2 (100%)
ALIASES
名称与别名
2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzonitrile2-Fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzonitrile5-[(3,4-Dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzonitrile5-((3,4-Dihydro-4-oxo-1-phthalazinyl)methyl)-2-fluorobenzonitrileRefChem:472418881-416-71021298-68-9MFCD281334502-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzonitrileC16H10FN3OBenzonitrile, 5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluoro-2-Fluoro-5-[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]benzonitrileOlaparib Impurity LSCHEMBL2473519SCHEMBL30148159SCHEMBL30792539LCPWJQRZOHAMOZ-UHFFFAOYSA-NDTXSID701169355AKOS027253282AC-29314
REACTIONS
