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4-{[(3-bromophenyl)methyl]amino}benzoic acid

4-{[(3-bromophenyl)methyl]amino}benzoic acid

Formula: C14H12BrNO2

SMILES: OC(=O)C1=CC=C(NCC2=CC(Br)=CC=C2)C=C1

IUPAC: 4-{[(3-bromophenyl)methyl]amino}benzoic acid

InChI: InChI=1S/C14H12BrNO2/c15-12-3-1-2-10(8-12)9-16-13-6-4-11(5-7-13)14(17)18/h1-8,16H,9H2,(H,17,18)

Composition: C (54.92%), H (3.95%), Br (26.10%), N (4.58%), O (10.45%)

Molar Mass: 306.159

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 305.005142
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey AXQVARVJGFLCSX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.74
Topological Polar Surface Area 49.33
Polarizability 27.99
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H12BrNO2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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