C1=C(C=C(C(=C1O)O)Br)C=O
CAS: 16414-34-9
Name: 3-bromo-4,5-dihydroxybenzaldehyde
SMILES: C1=C(C=C(C(=C1O)O)Br)C=O

Molecular Processing

Molecular formula
C7H5BrO3
Molecular weight
217.02
Exact mass
215.9422
XLogP
1.67
TPSA
57.53
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
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
Molar refractivity
42.86

Supplementary Information

InChIKey: GVSGSHGXUXLQNS-UHFFFAOYSA-N
Synonyme
3-Bromo-4,5-dihydroxybenzaldehyde16414-34-95-BROMO-3,4-DIHYDROXYBENZALDEHYDEKC2J6HXJ8SNSC-139675DTXSID30167711BDB compoundRefChem:498546DTXCID5090202240-463-8BENZALDEHYDE, 3-BROMO-4,5-DIHYDROXY-MFCD00016608CHEMBL4013683-bromo-4,5-dihydroxy-benzaldehyde5-BROMOPROTOCATECHUALDEHYDEEINECS 240-463-8NSC139675UNII-KC2J6HXJ8S3-BDBSCHEMBL1005213SCHEMBL29396510BDBM50526044EBC-08129SBB035928STK400015AKOS0002697185-bromoprotocatechualdehyde, AldrichCPRFB70549MB00252NSC 139675
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