B(C1=CC=C(C=C1)[N+](=O)[O-])(O)O
CAS: 24067-17-2
Nombre: (4-nitrophenyl)boronic acid
SMILES: B(C1=CC=C(C=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: NSFJAFZHYOAMHL-UHFFFAOYSA-N
Sinónimos
4-Nitrophenylboronic acid24067-17-2DTXSID50378549RefChem:526011DTXCID50329576627-647-7(4-nitrophenyl)boronic Acid4-Nitrobenzeneboronic acidp-nitrophenylboronic acidMFCD001613604-Nitrophenyl boronic acidBoronic acid, (4-nitrophenyl)-(4-nitrophenyl)boranediolp-nitrophenyl boronic acid4-Nitro phenyl boronic acid4-nitrobenzenboronic acid4-nitro-phenylboronic acid(4-nitrophenyl)boronicAcidpara-nitrophenylboronic acidSCHEMBL59934-nitro-phenyl boronic acidCHEMBL91108orb2940534SCHEMBL14727519BDBM26130NSFJAFZHYOAMHL-UHFFFAOYSA-N4-Nitrophenylboronic Acid (contains varying amounts of Anhydride)CS-D0729EBC-03359RB3032
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