1-[(benzenesulfonyl)methyl]-2-(bromomethyl)benzene

1-[(benzenesulfonyl)methyl]-2-(bromomethyl)benzene

CAS: 88116-02-3

Formula: C14H13BrO2S

SMILES: BrCC1=C(CS(=O)(=O)C2=CC=CC=C2)C=CC=C1

IUPAC: 1-[(benzenesulfonyl)methyl]-2-(bromomethyl)benzene

InChI: InChI=1S/C14H13BrO2S/c15-10-12-6-4-5-7-13(12)11-18(16,17)14-8-2-1-3-9-14/h1-9H,10-11H2

Composition: C (51.70%), H (4.03%), Br (24.57%), O (9.84%), S (9.86%)

Molar Mass: 325.22

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	323.981964
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SYNKYJKCQBVGSL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.44
Topological Polar Surface Area	34.14
Polarizability	30.38
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	88116-02-3		$1,000.00-$1,960.00$1,000.00$1,380.00$1,960.00