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N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}prop-2-enamide

N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}prop-2-enamide

CAS: 194423-15-9

Formula: C17H13BrN4O

SMILES: BrC1=CC=CC(NC2=C3C=C(NC(=O)C=C)C=CC3=NC=N2)=C1

IUPAC: N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}prop-2-enamide

InChI: InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)

Composition: C (55.30%), H (3.55%), Br (21.64%), N (15.17%), O (4.33%)

Molar Mass: 369.222

Atom Count: 36

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 368.027274
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey HTUBKQUPEREOGA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.73
Topological Polar Surface Area 66.91
Polarizability 35.94
Ring Count 3
Rotatable Bond Count 4

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 194423-15-9 Quote Only
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 194423-15-9 $38.22-$249.96$38.22$46.63$69.56$120.01$178.87$249.96
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