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

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

CAS: 331460-27-6

Formula: C15H12BrClO3S

SMILES: ClC1=CC=C(C=C1)C(=O)CCS(=O)(=O)C1=CC=C(Br)C=C1

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

InChI: InChI=1S/C15H12BrClO3S/c16-12-3-7-14(8-4-12)21(19,20)10-9-15(18)11-1-5-13(17)6-2-11/h1-8H,9-10H2

Composition: C (46.47%), H (3.12%), Br (20.61%), Cl (9.14%), O (12.38%), S (8.27%)

Molar Mass: 387.67

Atom Count: 33

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 385.937906
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PAYZHROFSRBWAX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.01
Topological Polar Surface Area 51.21
Polarizability 34.36
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 331460-27-6 $51.35-$524.40$51.35$63.37$86.31$524.40
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