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5-chloro-2-(prop-2-en-1-yloxy)benzoic acid

5-chloro-2-(prop-2-en-1-yloxy)benzoic acid

CAS: 62176-22-1

Formula: C10H9ClO3

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

IUPAC: 5-chloro-2-(prop-2-en-1-yloxy)benzoic acid

InChI: InChI=1S/C10H9ClO3/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h2-4,6H,1,5H2,(H,12,13)

Composition: C (56.49%), H (4.27%), Cl (16.67%), O (22.57%)

Molar Mass: 212.63

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 212.0240218
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XAJFEVFAVBYSQP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.74
Topological Polar Surface Area 46.53
Polarizability 20.53
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 62176-22-1 $320.85-$494.11$320.85$494.11
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