BRN 2905707

2-[[3-(bromomethyl)-5-methyladamantane-1-carbonyl]amino]benzoic acid

CAS: 51032-23-6

Molecular Formula	`C20H24BrNO3`
Molecular Weight	406.3 g/mol
LogP	4.4
Topological Polar Surface Area	66.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	405.09396
Heavy Atoms	25
Complexity	595.0

Chemical Identifiers

CAS Number	51032-23-6
SMILES	`CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC4=CC=CC=C4C(=O)O)CBr`
InChIKey	`CYVIYFFJHIHWIR-UHFFFAOYSA-N`

📖 Product Overview

BRN 2905707 (CAS: 51032-23-6) is a chemical compound with molecular formula C20H24BrNO3 and molecular weight 406.3 g/mol. Its IUPAC systematic name is 2-[[3-(bromomethyl)-5-methyladamantane-1-carbonyl]amino]benzoic acid. LogP 4.4 Topological Polar Surface Area 66.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 405.09396 Heavy Atoms 25 Complexity 595.0 InChI Key: CYVIYFFJHIHWIR-UHFFFAOYSA-N. SMILES: CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC4=CC=CC=C4C(=O)O)CBr.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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