(3-Bromo-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazol-9-yl oxy)-acetic acid

HCID 66834695
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Basic information

Standard SMILES
CC1(C)c2ccc(OCC(=O)O)cc2C(=O)c2c1[nH]c1cc(Br)ccc21
InChIKey
UXRVLEMNSJOGTL-UHFFFAOYSA-N
Molecular formula
C20H16BrNO4
Average molar mass
414.2 g/mol

Names & identifiers

Preferred name
(3-Bromo-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazol-9-yl oxy)-acetic acid
IUPAC
2-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-9-yl)oxy]acetic acid

Names & synonyms

SCHEMBL897887CHEMBL3946088UXRVLEMNSJOGTL-UHFFFAOYSA-NBDBM179014US9126931, 455(3-Bromo-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazol-9-yl oxy)-acetic acid

Database identifiers

PubChem CID
66834695
ChEMBL
CHEMBL3946088

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
79.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
26

Related reactions

2 records
New reaction record

Linked notes

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