BRN 1394904

2-(8-chloro-11-oxo-6H-benzo[c][1]benzoxepin-3-yl)propanoic acid

CAS: 55689-71-9

Molecular Formula	`C17H13ClO4`
Molecular Weight	316.7 g/mol
LogP	3.6
Topological Polar Surface Area	63.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	316.05023
Heavy Atoms	22
Complexity	452.0

Chemical Identifiers

CAS Number	55689-71-9
SMILES	`CC(C1=CC2=C(C=C1)C(=O)C3=C(CO2)C=C(C=C3)Cl)C(=O)O`
InChIKey	`MHJHFQUUNRQERU-UHFFFAOYSA-N`

📖 Product Overview

BRN 1394904 (CAS: 55689-71-9) is a chemical compound with molecular formula C17H13ClO4 and molecular weight 316.7 g/mol. Its IUPAC systematic name is 2-(8-chloro-11-oxo-6H-benzo[c][1]benzoxepin-3-yl)propanoic acid. LogP 3.6 Topological Polar Surface Area 63.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 316.05023 Heavy Atoms 22 Complexity 452.0 InChI Key: MHJHFQUUNRQERU-UHFFFAOYSA-N. SMILES: CC(C1=CC2=C(C=C1)C(=O)C3=C(CO2)C=C(C=C3)Cl)C(=O)O.

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