2-chloro-4-(2-nitrophenyl)benzoic acid

C13H8ClNO4 — CID 70699639

IUPAC2-chloro-4-(2-nitrophenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H8ClNO4/c14-11-7-8(5-6-10(11)13(16)17)9-3-1-2-4-12(9)15(18)19/h1-7H,(H,16,17)
InChIKeyUZTSMTNERDSDHS-UHFFFAOYSA-N
MW277.66 g/mol
LogP3.61
Rot. Bonds3

About 2-chloro-4-(2-nitrophenyl)benzoic acid

2-chloro-4-(2-nitrophenyl)benzoic acid (PubChem CID 70699639) has the molecular formula C13H8ClNO4 and a molecular weight of 277.66 g/mol. Its IUPAC name is 2-chloro-4-(2-nitrophenyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(2-nitrophenyl)benzoic acid
PubChem CID70699639
Molecular FormulaC13H8ClNO4
Molecular Weight277.66 g/mol
Exact Mass277.01
IUPAC Name2-chloro-4-(2-nitrophenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H8ClNO4/c14-11-7-8(5-6-10(11)13(16)17)9-3-1-2-4-12(9)15(18)19/h1-7H,(H,16,17)
InChIKeyUZTSMTNERDSDHS-UHFFFAOYSA-N
XLogP3.61
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.66
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-(2-formylphenyl)-2-nitrobenzoic acid
CID 53225128
4-(4-carboxy-3-nitrophenyl)-2-nitrobenzoic acid
CID 18966829
2-chloro-4-phenylbenzoic acid
CID 21487426
2-chloro-4-(2-nitroanilino)benzoic acid
CID 61399202
benzene;2-nitrobenzoic acid
CID 19891435
sodium;hydride;2-nitrobenzoic acid
CID 173210089
4-[2-(3,4-dicarboxyphenyl)phenyl]phthalic acid
CID 19890142
potassium 2-chloro-4-nitrobenzoic acid
CID 23673793
5-chloro-2-(3,4-dinitrophenyl)benzoic acid
CID 174261890
4-(3-chloro-4-methoxyphenyl)-2-nitrobenzoic acid
CID 53227527
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-nitrophenyl)benzoic acid?
The IUPAC name of 2-chloro-4-(2-nitrophenyl)benzoic acid (CID 70699639) is 2-chloro-4-(2-nitrophenyl)benzoic acid.
What is the SMILES notation for 2-chloro-4-(2-nitrophenyl)benzoic acid?
The canonical SMILES for 2-chloro-4-(2-nitrophenyl)benzoic acid is O=C(O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-(2-nitrophenyl)benzoic acid?
The InChIKey is UZTSMTNERDSDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO4/c14-11-7-8(5-6-10(11)13(16)17)9-3-1-2-4-12(9)15(18)19/h1-7H,(H,16,17).
What are the key properties of 2-chloro-4-(2-nitrophenyl)benzoic acid?
2-chloro-4-(2-nitrophenyl)benzoic acid has a molecular weight of 277.66 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-nitrophenyl)benzoic acid is sourced from PubChem (CID 70699639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).