1-bromo-4-(cyclopropanesulfonyl)benzene

1-bromo-4-(cyclopropanesulfonyl)benzene

CAS: 648906-28-9

Formula: C9H9BrO2S

SMILES: BrC1=CC=C(C=C1)S(=O)(=O)C1CC1

IUPAC: 1-bromo-4-(cyclopropanesulfonyl)benzene

InChI: InChI=1S/C9H9BrO2S/c10-7-1-3-8(4-2-7)13(11,12)9-5-6-9/h1-4,9H,5-6H2

Composition: C (41.40%), H (3.47%), Br (30.60%), O (12.25%), S (12.28%)

Molar Mass: 261.13

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	259.950664
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YTJMDWOCBCVVGM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.73
Topological Polar Surface Area	34.14
Polarizability	22.13
Ring Count	2
Rotatable Bond Count	2

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