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2-[(4-bromo-3-methylphenyl)carbamoyl]benzoic acid

2-[(4-bromo-3-methylphenyl)carbamoyl]benzoic acid

Formula: C15H12BrNO3

SMILES: CC1=CC(NC(=O)C2=CC=CC=C2C(O)=O)=CC=C1Br

IUPAC: 2-[(4-bromo-3-methylphenyl)carbamoyl]benzoic acid

InChI: InChI=1S/C15H12BrNO3/c1-9-8-10(6-7-13(9)16)17-14(18)11-4-2-3-5-12(11)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)

Composition: C (53.91%), H (3.62%), Br (23.91%), N (4.19%), O (14.36%)

Molar Mass: 334.169

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 333.000056
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey LDXWLHFTIVKWNU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.51
Topological Polar Surface Area 66.4
Polarizability 29.85
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H12BrNO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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