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5-chloro-2-isopropoxy-3-methoxybenzaldehyde

5-chloro-2-isopropoxy-3-methoxybenzaldehyde

CAS: 827593-20-4

Formula: C11H13ClO3

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

IUPAC: 5-chloro-3-methoxy-2-(propan-2-yloxy)benzaldehyde

InChI: InChI=1S/C11H13ClO3/c1-7(2)15-11-8(6-13)4-9(12)5-10(11)14-3/h4-7H,1-3H3

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 0
InChIKey ZWOOAUXTBHPQPI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.54
Topological Polar Surface Area 35.53
Polarizability 22.84
Ring Count 1
Rotatable Bond Count 4

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