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3-(4-bromobenzenesulfonyl)-1-(4-ethoxyphenyl)propan-1-one

3-(4-bromobenzenesulfonyl)-1-(4-ethoxyphenyl)propan-1-one

CAS: 477334-21-7

Formula: C17H17BrO4S

SMILES: CCOC1=CC=C(C=C1)C(=O)CCS(=O)(=O)C1=CC=C(Br)C=C1

IUPAC: 3-(4-bromobenzenesulfonyl)-1-(4-ethoxyphenyl)propan-1-one

InChI: InChI=1S/C17H17BrO4S/c1-2-22-15-7-3-13(4-8-15)17(19)11-12-23(20,21)16-9-5-14(18)6-10-16/h3-10H,2,11-12H2,1H3

Composition: C (51.40%), H (4.31%), Br (20.11%), O (16.11%), S (8.07%)

Molar Mass: 397.28

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 396.003093
Formal Charge 0
FSP3 0.24
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey NOSGIRKBBQLUDG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.41
Topological Polar Surface Area 60.44
Polarizability 36.79
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 477334-21-7 $51.35-$86.31$51.35$63.37$86.31
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