Name: ethyl 2-bromo-3-nitro-5-thiophenecarboxylate
SMILES:
CCOC(=O)c1cc([N+](=O)[O-])c(Br)s1Molecular Processing
Molecular formula
C7H6BrNO4S
Molecular weight
280.1
Exact mass
278.9201
XLogP
2.6
TPSA
69.44
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
54.63
Supplementary Information
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