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3-chloro-6-hydroxy-2,4-dimethylbenzaldehyde

3-chloro-6-hydroxy-2,4-dimethylbenzaldehyde

CAS: 81322-67-0

Formula: C9H9ClO2

SMILES: CC1=CC(O)=C(C=O)C(C)=C1Cl

IUPAC: 3-chloro-6-hydroxy-2,4-dimethylbenzaldehyde

InChI: InChI=1S/C9H9ClO2/c1-5-3-8(12)7(4-11)6(2)9(5)10/h3-4,12H,1-2H3

Composition: C (58.55%), H (4.91%), Cl (19.20%), O (17.33%)

Molar Mass: 184.62

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 184.0291072
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey NXNLQPJNVDGFOE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.51
Topological Polar Surface Area 37.3
Polarizability 18.25
Ring Count 1
Rotatable Bond Count 1

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95% <7 Days 81322-67-0 $256.68-$3,155.72$256.68$811.44$3,155.72
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