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4-bromo-1-(2-nitrobenzenesulfonyl)pyrrolidin-3-one

4-bromo-1-(2-nitrobenzenesulfonyl)pyrrolidin-3-one

CAS: 2387534-76-9

Formula: C10H9BrN2O5S

SMILES: [O-][N+](=O)C1=CC=CC=C1S(=O)(=O)N1CC(Br)C(=O)C1

IUPAC: 4-bromo-1-(2-nitrobenzenesulfonyl)pyrrolidin-3-one

InChI: InChI=1/C10H9BrN2O5S/c11-7-5-12(6-9(7)14)19(17,18)10-4-2-1-3-8(10)13(15)16/h1-4,7H,5-6H2

Composition: C (34.40%), H (2.60%), Br (22.88%), N (8.02%), O (22.91%), S (9.18%)

Molar Mass: 349.16

Atom Count: 28

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 347.941556
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey UQCIXYWCBVGMBG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.48
Topological Polar Surface Area 97.59
Polarizability 27.31
Ring Count 2
Rotatable Bond Count 2

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96% <2 Days 2387534-76-9 $2,297.70-$8,047.70$2,297.70$8,047.70
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