O=C(O)COc1ccc(Cl)cc1
CAS: 122-88-3
Name: 2-(4-chlorophenoxy)acetic acid
SMILES: O=C(O)COc1ccc(Cl)cc1

Molecular Processing

Molecular formula
C8H7ClO3
Molecular weight
186.59
Exact mass
186.0084
XLogP
1.8
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
44.58

Supplementary Information

InChIKey: SODPIMGUZLOIPE-UHFFFAOYSA-N
Synonyme
4-CHLOROPHENOXYACETIC ACID122-88-3(4-Chlorophenoxy)acetic acidSure-SetAcetic acid, (4-chlorophenoxy)-Tomato Fixp-Chlorophenoxyacetic acidTomato hold(p-Chlorophenoxy)acetic acid4CPAAcetic acid, (p-chlorophenoxy)-Parachlorophenoxyacetic acidBI 12NSC 8769TOMATONEDTXSID90342824EMM3U5P3KCHEBI:1808DTXCID7014282NSC-9213RefChem:98595204-581-34-ChlorophenoxyacetatePCPA2-(4-chlorophenoxy)acetic acid4-CPATomatotone4-CPMarks 4-cpaAcetic acid, 2-(4-chlorophenoxy)-
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