4-(3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE

CAS号
1094831-98-7
CCD编号
CCD01235218
分子式
C13 H13 N3 O
分子量
227.266

基本信息

产品名称: 4-(3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE
CAS: 1094831-98-7
英文同义词: 4-(3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE ; 4-[5-OXO-3-(PROPAN-2-YL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]BENZONITRILE ; 4-[4,5-DIHYDRO-3-(1-METHYLETHYL)-5-OXO-1H-PYRAZOL-1-YL]BENZONITRILE
MDL号: MFCD11621798
氢键受体数量: 4
氢键供体数量: 0
Smile: CC(C)C1=NN(C(=O)C1)c2ccc(cc2)C#N
InChi: InChI=1S/C13H13N3O/c1-9(2)12-7-13(17)16(15-12)11-5-3-10(8-14)4-6-11/h3-6,9H,7H2,1-2H3
InChiKey: InChIKey=ICFPJBCGWGUYMM-UHFFFAOYSA-N

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