COc1cc(C=O)cc(Cl)c1O
CAS: 19463-48-0
Название: 3-chloro-4-hydroxy-5-methoxybenzaldehyde
SMILES: COc1cc(C=O)cc(Cl)c1O

Molecular Processing

Molecular formula
C8H7ClO3
Molecular weight
186.59
Exact mass
186.0084
XLogP
1.87
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
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
45.06

Supplementary Information

InChIKey: ONIVKFDMLVBDRK-UHFFFAOYSA-N
Синонимы
3-CHLORO-4-HYDROXY-5-METHOXYBENZALDEHYDE19463-48-05-Chlorovanillin3-ChlorovanillinVanillin, 5-chloro-6L2HJ5NXQ8NSC-45929RefChem:500551243-086-7Benzaldehyde, 3-chloro-4-hydroxy-5-methoxy-MFCD000169823-Chloro-4-hydroxy-5-methoxy-benzaldehyde3-chloro-4-hydroxy-5-methoxy benzaldehyde61670-76-65-chlorovanilline5-chloro vanillinEINECS 243-086-7NSC 45929CHLORO-4-HYDROXY-3-METHOXYBENZALDEHYDEUNII-6L2HJ5NXQ8SCHEMBL564090CHEMBL2205139DTXSID9075161ALBB-026361CS-M0909NSC45929BBL023134SBB001593STK033666AKOS000111549
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