4-(2-Bromo-4-(Trifluoromethyl)Phenyl)-3,4-Dihydro-2H-Benzo[B][1,4]Oxazine-7-Sulfonyl Chloride

HCID 89761850
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Basic information

Standard SMILES
O=S(=O)(Cl)c1ccc2c(c1)OCCN2c1ccc(C(F)(F)F)cc1Br
InChIKey
NISPOAIOPBJROM-UHFFFAOYSA-N
Molecular formula
C15H10BrClF3NO3S
Average molar mass
456.7 g/mol
Monoisotopic mass
454.92054

Names & identifiers

Preferred name
4-(2-Bromo-4-(Trifluoromethyl)Phenyl)-3,4-Dihydro-2H-Benzo[B][1,4]Oxazine-7-Sulfonyl Chloride
IUPAC
4-[2-bromo-4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-7-sulfonyl chloride

Names & synonyms

4-(2-Bromo-4-(Trifluoromethyl)Phenyl)-3,4-Dihydro-2H-Benzo[B][1,4]Oxazine-7-Sulfonyl ChlorideSCHEMBL15202243

Database identifiers

PubChem CID
89761850

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
55 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
25

Related reactions

5 records
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Compound notes

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