C1=CC(=C(C=C1C=CCO)Cl)Cl
CAS: 56984-70-4
Name: 3-(3,4-dichlorophenyl)prop-2-en-1-ol
SMILES: C1=CC(=C(C=C1C=CCO)Cl)Cl

Molecular Processing

Molecular formula
C9H8Cl2O
Molecular weight
203.07
Exact mass
201.9952
XLogP
3
TPSA
20.23
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
3
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
52.58

Supplementary Information

InChIKey: BZHUHALWBXDAIN-UHFFFAOYSA-N
Synonyme
56984-70-42-Propen-1-ol, 3-(3,4-dichlorophenyl)-3,4-dichlorocinnamyl alcoholSCHEMBL2092421SCHEMBL3743993DTXSID90706105BZHUHALWBXDAIN-UHFFFAOYSA-NAKOS0175574843-(3,4-dichlorophenyl)-2-propene-1-ol3-(3,4-dichloro-phenyl)-2-propene-1-ol
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