HCID24811739

2-Fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzonitrile

2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzonitrile

C16H10FN3O279.27 g/molCAS 1021298-68-9

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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

已同步

XLogP: 2.4
极性表面积: 65.3 Å²
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

来源：PubChem

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

来源：PubChem

Hazard Classes and Categories

Skin Sens. 1 (100%)；STOT RE 2 (100%)

ALIASES

名称与别名

共 26 条

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