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3-(2-bromophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one

3-(2-bromophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one

Formula: C17H17BrO3

SMILES: COC1=C(OC)C=C(C=C1)C(=O)CCC1=C(Br)C=CC=C1

IUPAC: 3-(2-bromophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one

InChI: InChI=1S/C17H17BrO3/c1-20-16-10-8-13(11-17(16)21-2)15(19)9-7-12-5-3-4-6-14(12)18/h3-6,8,10-11H,7,9H2,1-2H3

Composition: C (58.47%), H (4.91%), Br (22.88%), O (13.74%)

Molar Mass: 349.224

Atom Count: 38

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 348.036107
Formal Charge 0
FSP3 0.24
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey GPQWBOPSVNWVPZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.33
Topological Polar Surface Area 35.53
Polarizability 33.27
Ring Count 2
Rotatable Bond Count 6

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C17H17BrO3 $580.00-$2,420.00$580.00$1,301.00$2,420.00
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