C1=C(C=C(C(=C1Br)O)Br)C=O
CAS: 2973-77-5
Name: 3,5-dibromo-4-hydroxybenzaldehyde
SMILES: C1=C(C=C(C(=C1Br)O)Br)C=O

Molecular Processing

Molecular formula
C7H4Br2O2
Molecular weight
279.92
Exact mass
277.8578
XLogP
2.73
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
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
48.89

Supplementary Information

InChIKey: SXRHGLQCOLNZPT-UHFFFAOYSA-N
Synonyme
3,5-DIBROMO-4-HYDROXYBENZALDEHYDE2973-77-5Benzaldehyde, 3,5-dibromo-4-hydroxy-EINECS 221-017-1NSC 72944DTXSID20183889RefChem:91427DTXCID10106380221-017-1InChI=1/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11SXRHGLQCOLNZPT-UHFFFAOYSA-NMFCD000169803,5-dibromo-4-hydroxy-benzaldehydeNSC72944SCHEMBL373244CHEMBL2549563,5-dibrom-4-hydroxy-benzaldehydALBB-0140254-hydroxy-3,5-dibromo benzaldehydeBBL023240EBC-04095MSK159698NSC-72944SBB006529STK021250AKOS000113473FD38003s104143,5-Dibromo-4-hydroxybenzaldehyde, 98%AC-13720
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