COC(=O)C1=C(C=C(C=C1Cl)Br)Cl
CAS: 232275-53-5
Name: methyl 4-bromo-2,6-dichlorobenzoate
SMILES: COC(=O)C1=C(C=C(C=C1Cl)Br)Cl

Molecular Processing

Molecular formula
C8H5BrCl2O2
Molecular weight
283.94
Exact mass
281.885
XLogP
3.54
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
55.5

Supplementary Information

InChIKey: JEOFIYOVYSTDJH-UHFFFAOYSA-N
Synonyme
methyl 4-bromo-2,6-dichlorobenzoate232275-53-5RefChem:816227964-943-8MFCD280373874-bromo-2,6-dichlorobenzoic acid methyl esterSCHEMBL5787779JEOFIYOVYSTDJH-UHFFFAOYSA-NHJA27553AKOS028113632methyl 4-bromo-2,6-dichloro-benzoateCS-16488SY358309DB-172242CS-00986942,6-dichloro-4-bromobenzoic acid methyl esterC90804F605565
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