C1=CC(=CC=C1O)Cl
CAS: 106-48-9
Name: 4-chlorophenol
SMILES: C1=CC(=CC=C1O)Cl

Molecular Processing

Molecular formula
C6H5ClO
Molecular weight
128.56
Exact mass
128.0029
XLogP
2.05
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
33.12

Supplementary Information

InChIKey: WXNZTHHGJRFXKQ-UHFFFAOYSA-N
Synonyms
4-CHLOROPHENOL106-48-9p-ChlorophenolparachlorophenolPhenol, 4-chloro-4-HydroxychlorobenzenePhenol, p-chloro-4-ChlorphenolApplied 3-784-Monochlorophenolp-Chlorophenic acidp-Chlorfenol4-Chloro-1-hydroxybenzeneDTXSID1021871NSC-28773DLC36A01XDTXCID201871CHEBI:28078NSC2877para-monochlorophenolRefChem:522013203-402-6p-Chlorfenol [Czech]4-chloro-phenolNSC 2877MFCD00002318Parachlorophenol (JAN/USP)NCGC00090814-01p-Chlorophenol, liquid [UN2021] [Keep away from food]p-Chlorophenol, solid [UN2020] [Keep away from food]
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