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5-bromo-2-methanesulfonylaniline

5-bromo-2-methanesulfonylaniline

CAS: 400610-51-7

Formula: C7H8BrNO2S

SMILES: CS(=O)(=O)C1=CC=C(Br)C=C1N

IUPAC: 5-bromo-2-methanesulfonylaniline

InChI: InChI=1S/C7H8BrNO2S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3

Composition: C (33.62%), H (3.22%), Br (31.95%), N (5.60%), O (12.79%), S (12.82%)

Molar Mass: 250.11

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 248.945913
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KWTCKSCLEBBNDI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.38
Topological Polar Surface Area 60.16
Polarizability 20.39
Ring Count 1
Rotatable Bond Count 1

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97% <7 Days 400610-51-7 $98.18-$2,436.61$98.18$145.86$208.51$329.12$420.75$1,218.31$2,436.61
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96% <2 Days 400610-51-7 $124.20-$517.50$124.20$143.75$171.35$221.95$327.75$517.50
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