Name: 5-bromobenzo[1,3]dioxole-4-carboxylic acid
SMILES:
O=C(O)c1c(Br)ccc2c1OCO2Molecular Processing
Molecular formula
C8H5BrO4
Molecular weight
245.03
Exact mass
243.9371
XLogP
1.88
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
47.22
Supplementary Information
Fetching details…
Involved in 13 reactions→