2-aminooxycarbonyl-5-chlorobenzoic acid

C8H6ClNO4 — CID 174257906

IUPAC2-aminooxycarbonyl-5-chlorobenzoic acid
SMILESNOC(=O)c1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C8H6ClNO4/c9-4-1-2-5(8(13)14-10)6(3-4)7(11)12/h1-3H,10H2,(H,11,12)
InChIKeyVYDCFTKDHCFTNL-UHFFFAOYSA-N
MW215.59 g/mol
LogP1.07
Rot. Bonds2

About 2-aminooxycarbonyl-5-chlorobenzoic acid

2-aminooxycarbonyl-5-chlorobenzoic acid (PubChem CID 174257906) has the molecular formula C8H6ClNO4 and a molecular weight of 215.59 g/mol. Its IUPAC name is 2-aminooxycarbonyl-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-aminooxycarbonyl-5-chlorobenzoic acid
PubChem CID174257906
Molecular FormulaC8H6ClNO4
Molecular Weight215.59 g/mol
Exact Mass215.00
IUPAC Name2-aminooxycarbonyl-5-chlorobenzoic acid
SMILESNOC(=O)c1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C8H6ClNO4/c9-4-1-2-5(8(13)14-10)6(3-4)7(11)12/h1-3H,10H2,(H,11,12)
InChIKeyVYDCFTKDHCFTNL-UHFFFAOYSA-N
XLogP1.07
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.59
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-carbamoyl-5-chlorobenzoic acid
CID 57087443
2-acetyl-5-chlorobenzoic acid
CID 11229391
4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
5-chloro-2-(2-methylpropanoyl)benzoic acid
CID 154678261
triamino benzene-1,2,4-tricarboxylate
CID 158722968
4-chloro-2-phenylbenzoic acid
CID 11424784
5-chloro-2-(3-oxopropyl)benzoic acid
CID 19737241
4-chloro-2-(2,3,4-trifluorophenyl)benzoic acid
CID 114024694
2-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]-5-chlorobenzoic acid
CID 145351582
bismuth tris(2-carboxy-4-chlorophenolate)
CID 54734267
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411

Frequently Asked Questions

What is the IUPAC name of 2-aminooxycarbonyl-5-chlorobenzoic acid?
The IUPAC name of 2-aminooxycarbonyl-5-chlorobenzoic acid (CID 174257906) is 2-aminooxycarbonyl-5-chlorobenzoic acid.
What is the SMILES notation for 2-aminooxycarbonyl-5-chlorobenzoic acid?
The canonical SMILES for 2-aminooxycarbonyl-5-chlorobenzoic acid is NOC(=O)c1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 2-aminooxycarbonyl-5-chlorobenzoic acid?
The InChIKey is VYDCFTKDHCFTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO4/c9-4-1-2-5(8(13)14-10)6(3-4)7(11)12/h1-3H,10H2,(H,11,12).
What are the key properties of 2-aminooxycarbonyl-5-chlorobenzoic acid?
2-aminooxycarbonyl-5-chlorobenzoic acid has a molecular weight of 215.59 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxycarbonyl-5-chlorobenzoic acid is sourced from PubChem (CID 174257906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).