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4-bromo-2-isopropylphenol

4-bromo-2-isopropylphenol

CAS: 26307-50-6

Formula: C9H11BrO

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

IUPAC: 4-bromo-2-(propan-2-yl)phenol

InChI: InChI=1S/C9H11BrO/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6,11H,1-2H3

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 IRIAFTMIYRJHNZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.85
Topological Polar Surface Area 20.23
Polarizability 19.14
Ring Count 1
Rotatable Bond Count 1

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