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5-chloro-2,4-dimethoxybenzoic acid

5-chloro-2,4-dimethoxybenzoic acid

CAS: 23053-81-8

Formula: C9H9ClO4

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

IUPAC: 5-chloro-2,4-dimethoxybenzoic acid

InChI: InChI=1S/C9H9ClO4/c1-13-7-4-8(14-2)6(10)3-5(7)9(11)12/h3-4H,1-2H3,(H,11,12)

Composition: C (49.90%), H (4.19%), Cl (16.37%), O (29.54%)

Molar Mass: 216.62

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 216.0189365
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey YVMAOAQQUJFELI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.05
Topological Polar Surface Area 55.76
Polarizability 19.71
Ring Count 1
Rotatable Bond Count 3

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