(4-nitro-2-phenylphenyl)boronic acid

C12H10BNO4 — CID 150240507

IUPAC(4-nitro-2-phenylphenyl)boronic acid
SMILESO=[N+]([O-])c1ccc(B(O)O)c(-c2ccccc2)c1
InChIInChI=1S/C12H10BNO4/c15-13(16)12-7-6-10(14(17)18)8-11(12)9-4-2-1-3-5-9/h1-8,15-16H
InChIKeyFXKVMHNPENNFQU-UHFFFAOYSA-N
MW243.03 g/mol
LogP0.94
Rot. Bonds3

About (4-nitro-2-phenylphenyl)boronic acid

(4-nitro-2-phenylphenyl)boronic acid (PubChem CID 150240507) has the molecular formula C12H10BNO4 and a molecular weight of 243.03 g/mol. Its IUPAC name is (4-nitro-2-phenylphenyl)boronic acid.

Molecular Properties

Compound Name(4-nitro-2-phenylphenyl)boronic acid
PubChem CID150240507
Molecular FormulaC12H10BNO4
Molecular Weight243.03 g/mol
Exact Mass243.07
IUPAC Name(4-nitro-2-phenylphenyl)boronic acid
SMILESO=[N+]([O-])c1ccc(B(O)O)c(-c2ccccc2)c1
InChIInChI=1S/C12H10BNO4/c15-13(16)12-7-6-10(14(17)18)8-11(12)9-4-2-1-3-5-9/h1-8,15-16H
InChIKeyFXKVMHNPENNFQU-UHFFFAOYSA-N
XLogP0.94
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.03
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-2-phenyl-1-propan-2-ylbenzene
CID 71283713
4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
(4-nitro-2-phenylphenyl) hydrogen carbonate
CID 53438460
4-(5-nitro-2-phenylphenyl)phthalic acid
CID 175116891
4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene
CID 88772999
5-nitro-2-phenylbenzoyl chloride
CID 21406523
(E)-3-(4-nitro-2-phenylphenyl)prop-2-enoic acid
CID 68978009
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
[4-nitro-2-(trifluoromethyl)phenyl]boronic acid
CID 15541255
4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene
CID 141390803
3-(2-methyl-5-nitrophenyl)benzoic acid
CID 82039488
1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone
CID 11747254

Frequently Asked Questions

What is the IUPAC name of (4-nitro-2-phenylphenyl)boronic acid?
The IUPAC name of (4-nitro-2-phenylphenyl)boronic acid (CID 150240507) is (4-nitro-2-phenylphenyl)boronic acid.
What is the SMILES notation for (4-nitro-2-phenylphenyl)boronic acid?
The canonical SMILES for (4-nitro-2-phenylphenyl)boronic acid is O=[N+]([O-])c1ccc(B(O)O)c(-c2ccccc2)c1.
What is the InChIKey of (4-nitro-2-phenylphenyl)boronic acid?
The InChIKey is FXKVMHNPENNFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BNO4/c15-13(16)12-7-6-10(14(17)18)8-11(12)9-4-2-1-3-5-9/h1-8,15-16H.
What are the key properties of (4-nitro-2-phenylphenyl)boronic acid?
(4-nitro-2-phenylphenyl)boronic acid has a molecular weight of 243.03 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitro-2-phenylphenyl)boronic acid is sourced from PubChem (CID 150240507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).