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2454397-98-7

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2454397-98-7 Structure

2454397-98-7 Structure
IdentificationBack Directory
[Name]

3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 3-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-, 1,1-dimethylethyl ester
[CAS]

2454397-98-7
[Synonyms]

3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 3-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl
tert-Butyl 3-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 3-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-, 1,1-dimethylethyl ester
[Molecular Formula]

C18H20Cl2FN5O2
[MDL Number]

MFCD34471585
[MOL File]

2454397-98-7.mol
[Molecular Weight]

428.29
Chemical PropertiesBack Directory
[Boiling point ]

533.3±50.0 °C(Predicted)
[density ]

1.435±0.06 g/cm3(Predicted)
[pka]

1.31±0.30(Predicted)
[InChI]

InChI=1S/C18H20Cl2FN5O2/c1-18(2,3)28-17(27)26-9-4-5-10(26)8-25(7-9)15-11-6-22-14(19)12(21)13(11)23-16(20)24-15/h6,9-10H,4-5,7-8H2,1-3H3
[InChIKey]

HZPQHQKQIQDTTN-UHFFFAOYSA-N
[SMILES]

C12N(C(OC(C)(C)C)=O)C(CC1)CN(C1N=C(Cl)N=C3C(F)=C(Cl)N=CC3=1)C2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P305+P351+P338
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