B(C1=CC(=CC=C1)[N+](=O)[O-])(O)O
CAS: 13331-27-6
Nom: (3-nitrophenyl)boronic acid
SMILES: B(C1=CC(=CC=C1)[N+](=O)[O-])(O)O

Molecular Processing

Molecular formula
C6H6BNO4
Molecular weight
166.93
Exact mass
167.039
XLogP
-0.73
TPSA
83.6
H-bond donors
2
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
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
42.92

Supplementary Information

InChIKey: ZNRGSYUVFVNSAW-UHFFFAOYSA-N
Synonymes
3-nitrophenylboronic acid13331-27-6(3-nitrophenyl)boronic acid3-Nitrobenzeneboronic acidBoronic acid, (3-nitrophenyl)-Boronic acid, B-(3-nitrophenyl)-m-Nitrobenzeneboronic acidJLC765W4PNNSC-59739NSC-401539Meta-nitrobenzeneboronic acidDTXSID2065416RefChem:504482DTXCID0034144603-734-5m-Nitrophenylboronic acidBenzeneboronic acid, m-nitro-3-Nitrophenyl boronic acidMFCD00007193CHEMBL20945WLN: WNR CBQQNSC 597393-nitro-phenyl boronic acidBRN 2938638dihydroxy(3-nitrophenyl)boraneAI3-603933-Nitrophenylboronicacidm-nitophenyl boronic acid3-nitropenyl boronic acidm-nitrophenyl boronic acid
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→