4-(4-Chlorophenoxy)aniline

• CAS: 101-79-1
• Catalog Number: ACM101791
• Category: Amines
• Molecular Weight: 219.66g/mol
• Molecular Formula: C12H10ClNO
• IUPAC Name: 4-(4-chlorophenoxy)aniline
• Canonical SMILES: C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl
• InChI: InChI=1S/C12H10ClNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
• InChI Key: YTISFYMPVILQRL-UHFFFAOYSA-N
• Complexity: 184
• Covalently-Bonded Unit Count: 1
• EC Number: 202-976-5
• Exact Mass: 219.045092g/mol
• Formal Charge: 0
• Hazard Statements: H302
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 15
• Monoisotopic Mass: 219.045092g/mol
• NSC Number: 75571
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 2
• Symbol: GHS07
• XLogP3: 2.7

Custom Q&A

What is the molecular formula of 4-(4-Chlorophenoxy)aniline?

The molecular formula is C12H10ClNO.

What is the molecular weight of 4-(4-Chlorophenoxy)aniline?

The molecular weight is 219.66 g/mol.

What is the IUPAC name of 4-(4-Chlorophenoxy)aniline?

The IUPAC name is 4-(4-chlorophenoxy)aniline.

What is the InChI of 4-(4-Chlorophenoxy)aniline?

The InChI is InChI=1S/C12H10ClNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2.

What is the Canonical SMILES of 4-(4-Chlorophenoxy)aniline?

The Canonical SMILES is C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl.

What is the CAS number of 4-(4-Chlorophenoxy)aniline?

The CAS number is 101-79-1.

What is the European Community (EC) number of 4-(4-Chlorophenoxy)aniline?

The European Community (EC) number is 202-976-5.

What is the ChEMBL ID of 4-(4-Chlorophenoxy)aniline?

The ChEMBL ID is CHEMBL1521156.

What is the XLogP3 value of 4-(4-Chlorophenoxy)aniline?

The XLogP3 value is 2.7.

Is 4-(4-Chlorophenoxy)aniline a canonicalized compound?

Yes, 4-(4-Chlorophenoxy)aniline is canonicalized.