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2-chloro-4-methylphenoxyacetic acid

2-chloro-4-methylphenoxyacetic acid

CAS: 583-23-3

Formula: C9H9ClO3

SMILES: CC1=CC(Cl)=C(OCC(O)=O)C=C1

IUPAC: 2-(2-chloro-4-methylphenoxy)acetic acid

InChI: InChI=1S/C9H9ClO3/c1-6-2-3-8(7(10)4-6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

Composition: C (53.88%), H (4.52%), Cl (17.67%), O (23.92%)

Molar Mass: 200.62

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 200.0240218
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PNTSMIMYOILILJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.45
Topological Polar Surface Area 46.53
Polarizability 18.92
Ring Count 1
Rotatable Bond Count 3

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