2-(2,6-dichloro-3-nitrophenyl)acetic acid

C8H5Cl2NO4 — CID 54265437

IUPAC2-(2,6-dichloro-3-nitrophenyl)acetic acid
SMILESO=C(O)Cc1c(Cl)ccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C8H5Cl2NO4/c9-5-1-2-6(11(14)15)8(10)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)
InChIKeyRGKOJUSFWOWYKK-UHFFFAOYSA-N
MW250.04 g/mol
LogP2.53
Rot. Bonds3

About 2-(2,6-dichloro-3-nitrophenyl)acetic acid

2-(2,6-dichloro-3-nitrophenyl)acetic acid (PubChem CID 54265437) has the molecular formula C8H5Cl2NO4 and a molecular weight of 250.04 g/mol. Its IUPAC name is 2-(2,6-dichloro-3-nitrophenyl)acetic acid.

Molecular Properties

Compound Name2-(2,6-dichloro-3-nitrophenyl)acetic acid
PubChem CID54265437
Molecular FormulaC8H5Cl2NO4
Molecular Weight250.04 g/mol
Exact Mass248.96
IUPAC Name2-(2,6-dichloro-3-nitrophenyl)acetic acid
SMILESO=C(O)Cc1c(Cl)ccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C8H5Cl2NO4/c9-5-1-2-6(11(14)15)8(10)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)
InChIKeyRGKOJUSFWOWYKK-UHFFFAOYSA-N
XLogP2.53
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 52.53
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

2-(6-chloro-3-methyl-2-nitrophenyl)acetic acid
CID 131618549
2-(3-chloro-2-cyano-4-nitrophenyl)acetic acid
CID 131611730
2-(2,6-dichloro-3-cyanophenyl)acetic acid
CID 121278950
1-(2,6-dichloro-3-nitrophenyl)propan-2-amine
CID 131531071
3-chloro-2-(chloromethyl)-6-nitrophenol
CID 154191043
(2,3-dichloro-6-nitrophenyl)methanol
CID 11160370
3-(3-chloro-2-methyl-6-nitrophenyl)-2-oxopropanoic acid
CID 21396339
3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine
CID 170865387
(2-chloro-6-methyl-3-nitrophenyl)methanol
CID 130826389
(2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol
CID 66515503
ethyl 2-(2-amino-6-chloro-3-nitrophenyl)acetate
CID 171021881
3-(3-chloro-2-methoxy-6-nitrophenyl)-2-oxopropanoic acid
CID 21396322

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-3-nitrophenyl)acetic acid?
The IUPAC name of 2-(2,6-dichloro-3-nitrophenyl)acetic acid (CID 54265437) is 2-(2,6-dichloro-3-nitrophenyl)acetic acid.
What is the SMILES notation for 2-(2,6-dichloro-3-nitrophenyl)acetic acid?
The canonical SMILES for 2-(2,6-dichloro-3-nitrophenyl)acetic acid is O=C(O)Cc1c(Cl)ccc([N+](=O)[O-])c1Cl.
What is the InChIKey of 2-(2,6-dichloro-3-nitrophenyl)acetic acid?
The InChIKey is RGKOJUSFWOWYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO4/c9-5-1-2-6(11(14)15)8(10)4(5)3-7(12)13/h1-2H,3H2,(H,12,13).
What are the key properties of 2-(2,6-dichloro-3-nitrophenyl)acetic acid?
2-(2,6-dichloro-3-nitrophenyl)acetic acid has a molecular weight of 250.04 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-3-nitrophenyl)acetic acid is sourced from PubChem (CID 54265437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).