Cc1cc(Br)c(C(=O)O)cc1Br
Name: 2,5-dibromo-4-methylbenzoic acid
SMILES: Cc1cc(Br)c(C(=O)O)cc1Br

Molecular Processing

Molecular formula
C8H6Br2O2
Molecular weight
293.94
Exact mass
291.8735
XLogP
3.22
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
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
0.125
Molar refractivity
53.54

Supplementary Information

Details werden geladen…

An 8 Reaktionen beteiligt