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Secondary metabolite: 4-Chloro-3-methoxybenzaldehyde
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C8H7ClO2
SMILES:
COc1cc(C=O)ccc1Cl
InChI:
InChI=1S/C8H7ClO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-5H,1H3
InChIKey:
BZCOHGUBYSDFET-UHFFFAOYSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccccc1
Scaffold Graph/Node level:
C1CCCCC1
Scaffold Graph level:
C1CCCCC1
Chemical classification
Kingdom:
Organic compounds
Super class:
Benzenoids
Class:
Benzene and substituted derivatives
Sub class:
Benzoyl derivatives
Synonymous chemical names:
4-chloro-3-methoxybenzaldehyde
External chemical identifiers:
CID_12909725
;
CAS_13726-16-4
;
NPATLAS_NPA005101
;
CHEMSPIDER_10386183
;
ZINC_ZINC000013386180
;
Molport_MolPort-002-461-998
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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