Nombre: 4-bromo-1-(3-nitro-2-pyridinyl)pyrrole-2-carboxylic acid
SMILES:
C1=CC(=C(N=C1)N2C=C(C=C2C(=O)O)Br)[N+](=O)[O-]Molecular Processing
Molecular formula
C10H6BrN3O4
Molecular weight
312.08
Exact mass
310.9542
XLogP
2.24
TPSA
98.26
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
64.88
Supplementary Information
InChIKey: OUNQJZPGRWWLOO-UHFFFAOYSA-N
Sinónimos
SCHEMBL951586OUNQJZPGRWWLOO-UHFFFAOYSA-N4-bromo-1-(3-nitro-2-pyridinyl)-1H-pyrrole-2-carboxylic acid
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