1-bromo-3-(butane-1-sulfonyl)benzene

1-bromo-3-(butane-1-sulfonyl)benzene

CAS: 1215077-78-3

Formula: C10H13BrO2S

SMILES: CCCCS(=O)(=O)C1=CC=CC(Br)=C1

IUPAC: 1-bromo-3-(butane-1-sulfonyl)benzene

InChI: InChI=1S/C10H13BrO2S/c1-2-3-7-14(12,13)10-6-4-5-9(11)8-10/h4-6,8H,2-3,7H2,1H3

Composition: C (43.33%), H (4.73%), Br (28.83%), O (11.54%), S (11.57%)

Molar Mass: 277.18

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	275.981964
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RLIMMHFTKGAENL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.48
Topological Polar Surface Area	34.14
Polarizability	24.64
Ring Count	1
Rotatable Bond Count	4

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