4-Desmethyl-2-methyl Celecoxib

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CAS号	170569-99-0
SMILES	CC1=CC=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
Inchi	InChI=1S/C17H14F3N3O2S/c1-11-4-2-3-5-14(11)15-10-16(17(18,19)20)22-23(15)12-6-8-13(9-7-12)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
InchiKey	QGNNQDAQBISHQG-UHFFFAOYSA-N
分子式 Formula	C17H14F3N3O2S
分子量 Molecular Weight	381
闪点 FP	265.0±32.9 ℃
沸点 Boiling point	514.6±60.0 ℃ at 760 mmHg
Polarizability极化度	36.4±0.5 10-24cm3
密度 Density	1.4±0.1 g/cm3
蒸汽压 Vapor Pressure	0.0±1.3 mmHg at 25℃
储藏条件 Storage conditions	storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)