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4-bromo-2-methoxy-6-methylbenzoic acid

4-bromo-2-methoxy-6-methylbenzoic acid

CAS: 877149-08-1

Formula: C9H9BrO3

SMILES: COC1=CC(Br)=CC(C)=C1C(O)=O

IUPAC: 4-bromo-2-methoxy-6-methylbenzoic acid

InChI: InChI=1S/C9H9BrO3/c1-5-3-6(10)4-7(13-2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)

Composition: C (44.11%), H (3.70%), Br (32.60%), O (19.58%)

Molar Mass: 245.072

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 243.973507
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RLDCUIJIUVPBBV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.44
Topological Polar Surface Area 46.53
Polarizability 19.89
Ring Count 1
Rotatable Bond Count 2

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97% <7 Days 877149-08-1 $120.62-$916.30$120.62$204.77$299.20$916.30
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95% <2 Days 877149-08-1 $51.35-$181.36$51.35$63.37$86.31$181.36
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