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4-(2,5-dichlorobenzenesulfonyl)butan-2-one

4-(2,5-dichlorobenzenesulfonyl)butan-2-one

CAS: 336195-37-0

Formula: C10H10Cl2O3S

SMILES: CC(=O)CCS(=O)(=O)C1=CC(Cl)=CC=C1Cl

IUPAC: 4-(2,5-dichlorobenzenesulfonyl)butan-2-one

InChI: InChI=1S/C10H10Cl2O3S/c1-7(13)4-5-16(14,15)10-6-8(11)2-3-9(10)12/h2-3,6H,4-5H2,1H3

Composition: C (42.72%), H (3.59%), Cl (25.22%), O (17.07%), S (11.40%)

Molar Mass: 281.15

Atom Count: 26

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 279.9727708
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey IOYLHQZBZGMKDG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.92
Topological Polar Surface Area 51.21
Polarizability 25.8
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 336195-37-0 $58.65-$232.30$58.65$232.30
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