2-(2,6-dichloro-4-formylphenoxy)propanoic acid

2-(2,6-dichloro-4-formylphenoxy)propanoic acid

CAS: 812642-69-6

Formula: C10H8Cl2O4

SMILES: CC(OC1=C(Cl)C=C(C=O)C=C1Cl)C(O)=O

IUPAC: 2-(2,6-dichloro-4-formylphenoxy)propanoic acid

InChI: InChI=1/C10H8Cl2O4/c1-5(10(14)15)16-9-7(11)2-6(4-13)3-8(9)12/h2-5H,1H3,(H,14,15)

Composition: C (45.66%), H (3.07%), Cl (26.95%), O (24.33%)

Molar Mass: 263.07

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	261.9799641
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OHRIXVQLDRUTQY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.29
Topological Polar Surface Area	63.6
Polarizability	22.93
Ring Count	1
Rotatable Bond Count	4

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