NC(=O)c1cc(Br)sc1[N+](=O)[O-]
CAS: 1093878-20-6
名称: 5-bromo-2-nitrothiophene-3-carboxamide
SMILES: NC(=O)c1cc(Br)sc1[N+](=O)[O-]

Molecular Processing

Molecular formula
C5H3BrN2O3S
Molecular weight
251.06
Exact mass
249.9048
XLogP
1.52
TPSA
86.23
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
12
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
Molar refractivity
47.19

Supplementary Information

InChIKey: UUIXLRCZHBPZNE-UHFFFAOYSA-N
同義語
5-BROMO-2-NITROTHIOPHENE-3-CARBOXAMIDE1093878-20-6SCHEMBL1428156DTXSID90695080UUIXLRCZHBPZNE-UHFFFAOYSA-NDA-15670
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