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ethyl 3-bromo-4-(chlorosulfonyl)benzoate

ethyl 3-bromo-4-(chlorosulfonyl)benzoate

CAS: 1000932-93-3

Formula: C9H8BrClO4S

SMILES: CCOC(=O)C1=CC=C(C(Br)=C1)S(Cl)(=O)=O

IUPAC: ethyl 3-bromo-4-(chlorosulfonyl)benzoate

InChI: InChI=1S/C9H8BrClO4S/c1-2-15-9(12)6-3-4-8(7(10)5-6)16(11,13)14/h3-5H,2H2,1H3

Composition: C (33.00%), H (2.46%), Br (24.39%), Cl (10.82%), O (19.54%), S (9.79%)

Molar Mass: 327.57

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 325.901521
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ORRSZYNOLXITNI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.65
Topological Polar Surface Area 60.44
Polarizability 25.75
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1000932-93-3 $121.06-$566.19$121.06$204.28$566.19
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