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2-[(2E)-3-(3-bromophenyl)-2-cyanoprop-2-enamido]benzoic acid

2-[(2E)-3-(3-bromophenyl)-2-cyanoprop-2-enamido]benzoic acid

Formula: C17H11BrN2O3

SMILES: OC(=O)C1=CC=CC=C1NC(=O)C(=CC1=CC=CC(Br)=C1)C#N

IUPAC: 2-[(2E)-3-(3-bromophenyl)-2-cyanoprop-2-enamido]benzoic acid

InChI: InChI=1S/C17H11BrN2O3/c18-13-5-3-4-11(9-13)8-12(10-19)16(21)20-15-7-2-1-6-14(15)17(22)23/h1-9H,(H,20,21)(H,22,23)/b12-8+

Composition: C (55.01%), H (2.99%), Br (21.53%), N (7.55%), O (12.93%)

Molar Mass: 371.19

Atom Count: 34

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 369.995305
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey YWXJWMKMISXVKQ-XYOKQWHBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.27
Topological Polar Surface Area 90.19
Polarizability 33.24
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H11BrN2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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