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4-chloro-3-(2-methylpropoxy)benzoic acid

4-chloro-3-(2-methylpropoxy)benzoic acid

CAS: 1280786-73-3

Formula: C11H13ClO3

SMILES: CC(C)COC1=CC(=CC=C1Cl)C(O)=O

IUPAC: 4-chloro-3-(2-methylpropoxy)benzoic acid

InChI: InChI=1S/C11H13ClO3/c1-7(2)6-15-10-5-8(11(13)14)3-4-9(10)12/h3-5,7H,6H2,1-2H3,(H,13,14)

Composition: C (57.78%), H (5.73%), Cl (15.50%), O (20.99%)

Molar Mass: 228.67

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 228.055322
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MIHGERMEJSCGDA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.33
Topological Polar Surface Area 46.53
Polarizability 22.63
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1280786-73-3 $246.10-$1,386.90$246.10$572.70$1,386.90
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