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4-bromo-2-propylphenol

4-bromo-2-propylphenol

Formula: C9H11BrO

SMILES: CCCC1=C(O)C=CC(Br)=C1

IUPAC: 4-bromo-2-propylphenol

InChI: InChI=1S/C9H11BrO/c1-2-3-7-6-8(10)4-5-9(7)11/h4-6,11H,2-3H2,1H3

Composition: C (50.26%), H (5.16%), Br (37.15%), O (7.44%)

Molar Mass: 215.09

Atom Count: 22

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 213.999328
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey AEHYMMFSHCSYAA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.9
Topological Polar Surface Area 20.23
Polarizability 19.14
Ring Count 1
Rotatable Bond Count 2

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Purity (%)
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Purity LeadTime Formula UnitPrice
98% <10 Days C9H11BrO Quote Only