8-Bromo-3-nitrochroman

HCID 19087162
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Basic information

Standard SMILES
O=[N+]([O-])C1COc2c(Br)cccc2C1
InChIKey
YQCFKPIFXGCPPB-UHFFFAOYSA-N
Molecular formula
C9H8BrNO3
Average molar mass
258.07 g/mol
Monoisotopic mass
256.96876

Names & identifiers

Preferred name
8-Bromo-3-nitrochroman
IUPAC
8-bromo-3-nitro-3,4-dihydro-2H-chromene

Names & synonyms

8-bromo-3-nitrochromanSCHEMBL9441689YQCFKPIFXGCPPB-UHFFFAOYSA-N

Database identifiers

PubChem CID
19087162

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
55.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
14

Related reactions

3 records
New reaction record

Linked notes

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