CAS: 5807-30-7
이름: 2-(3,4-dichlorophenyl)acetic acid
SMILES:
C1=CC(=C(C=C1CC(=O)O)Cl)ClMolecular Processing
Molecular formula
C8H6Cl2O2
Molecular weight
205.04
Exact mass
203.9745
XLogP
2.62
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
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
47.8
Supplementary Information
InChIKey: ZOUPGSMSNQLUNW-UHFFFAOYSA-N
동의어
3,4-Dichlorophenylacetic acid5807-30-7Benzeneacetic acid, 3,4-dichloro-3,4-dichlorobenzeneacetic acid713NZ1A32DEINECS 227-368-7NSC 132186NSC-132186UNII-713NZ1A32DDTXSID70206794ACETIC ACID, (3,4-DICHLOROPHENYL)-RefChem:91040DTXCID00129285227-368-7InChI=1/C8H6Cl2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12ZOUPGSMSNQLUNW-UHFFFAOYSA-N2-(3,4-dichlorophenyl)acetic acid(3,4-dichlorophenyl)acetic acidMFCD000043332-(3,4-dichlorophenyl)ethanoic acidCHEMBL31163093,4-DichlorophenylaceticAcid(3,4-dichloro-phenyl)-acetic acid3,4dichlorophenylacetic acidSCHEMBL2835873,4-dichlorophenyl acetic acid3,4-dichlorophenyl-acetic acidorb3031006Fr13045(3,4-dichloro-phenyl) acetic acid
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