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1-(4-bromobenzenesulfonyl)pyrrolidine-2-carboxylic acid

1-(4-bromobenzenesulfonyl)pyrrolidine-2-carboxylic acid

CAS: 251097-16-2

Formula: C11H12BrNO4S

SMILES: OC(=O)C1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1

IUPAC: 1-(4-bromobenzenesulfonyl)pyrrolidine-2-carboxylic acid

InChI: InChI=1/C11H12BrNO4S/c12-8-3-5-9(6-4-8)18(16,17)13-7-1-2-10(13)11(14)15/h3-6,10H,1-2,7H2,(H,14,15)

Composition: C (39.54%), H (3.62%), Br (23.91%), N (4.19%), O (19.15%), S (9.59%)

Molar Mass: 334.18

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 332.967042
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ORZCOQODYMJAIP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 69
Topological Polar Surface Area 74.68
Polarizability 27.63
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 251097-16-2 $51.35-$292.79$51.35$63.37$86.31$292.79
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