3-(4-bromobenzenesulfonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

3-(4-bromobenzenesulfonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

CAS: 1008926-23-5

Formula: C12H12BrNO4S

SMILES: OC(=O)C1C2CC2CN1S(=O)(=O)C1=CC=C(Br)C=C1

IUPAC: 3-(4-bromobenzenesulfonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

InChI: InChI=1/C12H12BrNO4S/c13-8-1-3-9(4-2-8)19(17,18)14-6-7-5-10(7)11(14)12(15)16/h1-4,7,10-11H,5-6H2,(H,15,16)

Composition: C (41.63%), H (3.49%), Br (23.08%), N (4.05%), O (18.49%), S (9.26%)

Molar Mass: 346.2

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	3
Exact Mass	344.967042
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	UWSISCWAFROVHI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.54
Topological Polar Surface Area	74.68
Polarizability	28.74
Ring Count	3
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	1008926-23-5		$51.35-$524.40$51.35$63.37$86.31$524.40