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3-(3-bromophenyl)-2,2-dimethylpropanoic acid

3-(3-bromophenyl)-2,2-dimethylpropanoic acid

CAS: 926625-06-1

Formula: C11H13BrO2

SMILES: CC(C)(CC1=CC(Br)=CC=C1)C(O)=O

IUPAC: 3-(3-bromophenyl)-2,2-dimethylpropanoic acid

InChI: InChI=1S/C11H13BrO2/c1-11(2,10(13)14)7-8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H,13,14)

Composition: C (51.38%), H (5.10%), Br (31.08%), O (12.44%)

Molar Mass: 257.127

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 256.009893
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SXDRABVXEHYXCN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.66
Topological Polar Surface Area 37.3
Polarizability 22.85
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS UnitPrice
98% <10 Days 926625-06-1 Quote Only
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97% <5 Days 926625-06-1 $23.96-$63.05$23.96$63.05
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