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1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

CAS: 361463-74-3

Formula: C12H12BrNO3

SMILES: CC1=CC(=CC=C1Br)N1CC(CC1=O)C(O)=O

IUPAC: 1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

InChI: InChI=1/C12H12BrNO3/c1-7-4-9(2-3-10(7)13)14-6-8(12(16)17)5-11(14)15/h2-4,8H,5-6H2,1H3,(H,16,17)

Composition: C (48.34%), H (4.06%), Br (26.80%), N (4.70%), O (16.10%)

Molar Mass: 298.136

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 297.000056
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CBCCVTRFEBPUAH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.68
Topological Polar Surface Area 57.61
Polarizability 25.22
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 361463-74-3 $51.35-$86.31$51.35$63.37$86.31
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