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(2E)-1-(4-bromophenyl)-3-[(4-bromophenyl)amino]pent-2-en-1-one

(2E)-1-(4-bromophenyl)-3-[(4-bromophenyl)amino]pent-2-en-1-one

Formula: C17H15Br2NO

SMILES: CCC(NC1=CC=C(Br)C=C1)=C/C(=O)C1=CC=C(Br)C=C1

IUPAC: (2E)-1-(4-bromophenyl)-3-[(4-bromophenyl)amino]pent-2-en-1-one

InChI: InChI=1S/C17H15Br2NO/c1-2-15(20-16-9-7-14(19)8-10-16)11-17(21)12-3-5-13(18)6-4-12/h3-11,20H,2H2,1H3/b15-11+

Composition: C (49.91%), H (3.70%), Br (39.06%), N (3.42%), O (3.91%)

Molar Mass: 409.121

Atom Count: 36

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 406.95204
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey JWRKRPFCABLNRW-RVDMUPIBSA-N
Lipinski's Rule of Five
Molar Refractivity 96.67
Topological Polar Surface Area 29.1
Polarizability 35.61
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H15Br2NO $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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