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Secondary metabolite: 2,4-Difluoro-1-isocyanato-benzene
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C7H3F2NO
SMILES:
O=C=Nc1ccc(cc1F)F
InChI:
InChI=1S/C7H3F2NO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChIKey:
HNENEALJPWJWJY-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:
Halobenzenes
Synonymous chemical names:
2,4-difluoro-1-isocyanato-benzene
External chemical identifiers:
CID_593258
;
CAS_59025-55-7
;
CHEMSPIDER_515721
;
ZINC_ZINC000000164769
;
Molport_MolPort-000-146-100
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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