ChemicalBook--->CAS DataBase List--->2227126-09-0

2227126-09-0

2227126-09-0 Structure

2227126-09-0 Structure
IdentificationBack Directory
[Name]

Benzonitrile, 4-[3-[(acetyloxy)methyl]-4-bromophenoxy]-
[CAS]

2227126-09-0
[Synonyms]

Crisaborole-006
Crisaborole Impurity 63
Benzonitrile, 4-[3-[(acetyloxy)methyl]-4-bromophenoxy]-
[Molecular Formula]

C16H12BrNO3
[MOL File]

2227126-09-0.mol
[Molecular Weight]

346.18
Chemical PropertiesBack Directory
[Boiling point ]

441.0±45.0 °C(Predicted)
[density ]

1.49±0.1 g/cm3(Predicted)
[InChI]

InChI=1S/C16H12BrNO3/c1-11(19)20-10-13-8-15(6-7-16(13)17)21-14-4-2-12(9-18)3-5-14/h2-8H,10H2,1H3
[InChIKey]

LESJMARECHWSBI-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC=C(OC2=CC=C(Br)C(COC(C)=O)=C2)C=C1
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