BRN 4479106

3-chloro-1,2-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid

CAS: 87033-45-2

Molecular Formula	`C15H11ClO2S`
Molecular Weight	290.8 g/mol
LogP	3.6
Topological Polar Surface Area	62.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	1
Exact Mass	290.0168
Heavy Atoms	19
Complexity	504.0

Chemical Identifiers

CAS Number	87033-45-2
SMILES	`C1CC2=C(C=C1Cl)C=C(C3=CC=CC=C3S2)C(=O)O`
InChIKey	`UDULSEXXHDFOIO-UHFFFAOYSA-N`

📖 Product Overview

BRN 4479106 (CAS: 87033-45-2) is a chemical compound with molecular formula C15H11ClO2S and molecular weight 290.8 g/mol. Its IUPAC systematic name is 3-chloro-1,2-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid. LogP 3.6 Topological Polar Surface Area 62.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 1 Exact Mass 290.0168 Heavy Atoms 19 Complexity 504.0 InChI Key: UDULSEXXHDFOIO-UHFFFAOYSA-N. SMILES: C1CC2=C(C=C1Cl)C=C(C3=CC=CC=C3S2)C(=O)O.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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