2,2-bis(4-nitrophenyl)acetic acid

C14H10N2O6 — CID 12768595

IUPAC2,2-bis(4-nitrophenyl)acetic acid
SMILESO=C(O)C(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N2O6/c17-14(18)13(9-1-5-11(6-2-9)15(19)20)10-3-7-12(8-4-10)16(21)22/h1-8,13H,(H,17,18)
InChIKeyANXXJWINPLLRBF-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.72
Rot. Bonds5

About 2,2-bis(4-nitrophenyl)acetic acid

2,2-bis(4-nitrophenyl)acetic acid (PubChem CID 12768595) has the molecular formula C14H10N2O6 and a molecular weight of 302.24 g/mol. Its IUPAC name is 2,2-bis(4-nitrophenyl)acetic acid.

Molecular Properties

Compound Name2,2-bis(4-nitrophenyl)acetic acid
PubChem CID12768595
Molecular FormulaC14H10N2O6
Molecular Weight302.24 g/mol
Exact Mass302.05
IUPAC Name2,2-bis(4-nitrophenyl)acetic acid
SMILESO=C(O)C(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N2O6/c17-14(18)13(9-1-5-11(6-2-9)15(19)20)10-3-7-12(8-4-10)16(21)22/h1-8,13H,(H,17,18)
InChIKeyANXXJWINPLLRBF-UHFFFAOYSA-N
XLogP2.72
TPSA123.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-2-amino-3-(4-nitrophenyl)butanedioic acid
CID 95564429
(2R)-2-(4-nitrophenyl)-2-sulfoacetic acid
CID 88716025
2-cyclopentyl-2-(4-nitrophenyl)acetic acid
CID 67078544
bis(4-nitrophenyl)methanol
CID 12768612
(2S,3R)-2-amino-3-(4-nitrophenyl)butanoic acid
CID 14598190
ethane-1,2-diol;2-fluoro-2-(4-nitrophenyl)acetic acid
CID 175270208
ethyl 2-(4-nitrophenyl)-2-phenylacetate
CID 171639560
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
(2S)-2-acetamido-2-(4-nitrophenyl)acetic acid
CID 14037273
4,4-bis(4-nitrophenyl)butanoic acid
CID 57006475
1-nitro-4-propan-2-ylbenzene;propanoic acid
CID 162240103
2-[1-[1-(4-nitrophenyl)ethyl]azetidin-3-yl]propanoic acid
CID 116684661

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-nitrophenyl)acetic acid?
The IUPAC name of 2,2-bis(4-nitrophenyl)acetic acid (CID 12768595) is 2,2-bis(4-nitrophenyl)acetic acid.
What is the SMILES notation for 2,2-bis(4-nitrophenyl)acetic acid?
The canonical SMILES for 2,2-bis(4-nitrophenyl)acetic acid is O=C(O)C(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2,2-bis(4-nitrophenyl)acetic acid?
The InChIKey is ANXXJWINPLLRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O6/c17-14(18)13(9-1-5-11(6-2-9)15(19)20)10-3-7-12(8-4-10)16(21)22/h1-8,13H,(H,17,18).
What are the key properties of 2,2-bis(4-nitrophenyl)acetic acid?
2,2-bis(4-nitrophenyl)acetic acid has a molecular weight of 302.24 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-nitrophenyl)acetic acid is sourced from PubChem (CID 12768595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).