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2-chloro-4,6-dimethoxybenzoic acid

2-chloro-4,6-dimethoxybenzoic acid

Formula: C9H9ClO4

SMILES: COC1=CC(Cl)=C(C(O)=O)C(OC)=C1

IUPAC: 2-chloro-4,6-dimethoxybenzoic acid

InChI: InChI=1S/C9H9ClO4/c1-13-5-3-6(10)8(9(11)12)7(4-5)14-2/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 QKKSYRXIBLFVDR-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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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C9H9ClO4 $1,760.00-$3,190.00$1,760.00$2,508.00$3,190.00
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