acetic acid;2-chloroaniline

C8H10ClNO2 — CID 70203056

IUPACacetic acid;2-chloroaniline
SMILESCC(=O)O.Nc1ccccc1Cl
InChIInChI=1S/C6H6ClN.C2H4O2/c7-5-3-1-2-4-6(5)8;1-2(3)4/h1-4H,8H2;1H3,(H,3,4)
InChIKeyOKENATVJESGUCB-UHFFFAOYSA-N
MW187.63 g/mol
LogP2.01
Rot. Bonds

About acetic acid;2-chloroaniline

acetic acid;2-chloroaniline (PubChem CID 70203056) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is acetic acid;2-chloroaniline.

Molecular Properties

Compound Nameacetic acid;2-chloroaniline
PubChem CID70203056
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Nameacetic acid;2-chloroaniline
SMILESCC(=O)O.Nc1ccccc1Cl
InChIInChI=1S/C6H6ClN.C2H4O2/c7-5-3-1-2-4-6(5)8;1-2(3)4/h1-4H,8H2;1H3,(H,3,4)
InChIKeyOKENATVJESGUCB-UHFFFAOYSA-N
XLogP2.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-chloroaniline?
The IUPAC name of acetic acid;2-chloroaniline (CID 70203056) is acetic acid;2-chloroaniline.
What is the SMILES notation for acetic acid;2-chloroaniline?
The canonical SMILES for acetic acid;2-chloroaniline is CC(=O)O.Nc1ccccc1Cl.
What is the InChIKey of acetic acid;2-chloroaniline?
The InChIKey is OKENATVJESGUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN.C2H4O2/c7-5-3-1-2-4-6(5)8;1-2(3)4/h1-4H,8H2;1H3,(H,3,4).
What are the key properties of acetic acid;2-chloroaniline?
acetic acid;2-chloroaniline has a molecular weight of 187.63 g/mol, XLogP of 2.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-chloroaniline is sourced from PubChem (CID 70203056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).