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N-(2-bromo-4,5-dimethylphenyl)-2-methylpropanamide

N-(2-bromo-4,5-dimethylphenyl)-2-methylpropanamide

Formula: C12H16BrNO

SMILES: CC(C)C(=O)NC1=CC(C)=C(C)C=C1Br

IUPAC: N-(2-bromo-4,5-dimethylphenyl)-2-methylpropanamide

InChI: InChI=1S/C12H16BrNO/c1-7(2)12(15)14-11-6-9(4)8(3)5-10(11)13/h5-7H,1-4H3,(H,14,15)

Composition: C (53.35%), H (5.97%), Br (29.58%), N (5.18%), O (5.92%)

Molar Mass: 270.17

Atom Count: 31

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 269.041527
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey RGFMBALAEFVIPW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.83
Topological Polar Surface Area 29.1
Polarizability 25.17
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H16BrNO $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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