4-chlorobenzene-1,2-diamine

C6H7ClN2 — CID 7263

IUPAC4-chlorobenzene-1,2-diamine
SMILESNc1ccc(Cl)cc1N
InChIInChI=1S/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
InChIKeyBXIXXXYDDJVHDL-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.50
Rot. Bonds

About 4-chlorobenzene-1,2-diamine

4-chlorobenzene-1,2-diamine (PubChem CID 7263) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is 4-chlorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-chlorobenzene-1,2-diamine
PubChem CID7263
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Name4-chlorobenzene-1,2-diamine
SMILESNc1ccc(Cl)cc1N
InChIInChI=1S/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
InChIKeyBXIXXXYDDJVHDL-UHFFFAOYSA-N
XLogP1.50
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dichloroaniline
CID 7257
2-Chloroaniline
CID 7240
4-Chloroaniline
CID 7812
3,5-Dichloroaniline
CID 12281
4-Chloro-2-nitroaniline
CID 6979
2,5-Dichloroaniline
CID 7262
3-Chloroaniline
CID 7932
2,4-Dichloroaniline
CID 11123
4-Chloro-M-phenylenediamine
CID 21209
4-Chloroaniline hydrochloride
CID 5284363
3-Chloro-4-fluoroaniline
CID 9708
2-Chloro-1,4-benzenediamine dihydrochloride
CID 11997

Frequently Asked Questions

What is the IUPAC name of 4-chlorobenzene-1,2-diamine?
The IUPAC name of 4-chlorobenzene-1,2-diamine (CID 7263) is 4-chlorobenzene-1,2-diamine.
What is the SMILES notation for 4-chlorobenzene-1,2-diamine?
The canonical SMILES for 4-chlorobenzene-1,2-diamine is Nc1ccc(Cl)cc1N.
What is the InChIKey of 4-chlorobenzene-1,2-diamine?
The InChIKey is BXIXXXYDDJVHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2.
What are the key properties of 4-chlorobenzene-1,2-diamine?
4-chlorobenzene-1,2-diamine has a molecular weight of 142.59 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobenzene-1,2-diamine is sourced from PubChem (CID 7263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).