2-chloro-3-(2,3,4-trichlorophenyl)aniline

C12H7Cl4N — CID 134624040

IUPAC2-chloro-3-(2,3,4-trichlorophenyl)aniline
SMILESNc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl
InChIInChI=1S/C12H7Cl4N/c13-8-5-4-7(11(15)12(8)16)6-2-1-3-9(17)10(6)14/h1-5H,17H2
InChIKeyRQJHHEHPXHFPEJ-UHFFFAOYSA-N
MW307.01 g/mol
LogP5.55
Rot. Bonds1

About 2-chloro-3-(2,3,4-trichlorophenyl)aniline

2-chloro-3-(2,3,4-trichlorophenyl)aniline (PubChem CID 134624040) has the molecular formula C12H7Cl4N and a molecular weight of 307.01 g/mol. Its IUPAC name is 2-chloro-3-(2,3,4-trichlorophenyl)aniline.

Molecular Properties

Compound Name2-chloro-3-(2,3,4-trichlorophenyl)aniline
PubChem CID134624040
Molecular FormulaC12H7Cl4N
Molecular Weight307.01 g/mol
Exact Mass304.93
IUPAC Name2-chloro-3-(2,3,4-trichlorophenyl)aniline
SMILESNc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl
InChIInChI=1S/C12H7Cl4N/c13-8-5-4-7(11(15)12(8)16)6-2-1-3-9(17)10(6)14/h1-5H,17H2
InChIKeyRQJHHEHPXHFPEJ-UHFFFAOYSA-N
XLogP5.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.01
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(2,3,4-trichlorophenyl)aniline
CID 134618448
2-chlorobenzene-1,3-diamine;dihydrochloride
CID 141430940
1,2,3-trichloro-4-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 134622361
1,2,3-trichloro-4-[3-(chloromethyl)-2-fluorophenyl]benzene
CID 134622332
1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene
CID 118849408
benzene;ruthenium;1,2,3,4-tetrachlorobenzene
CID 173000636
2-chloro-3-(5-methylfuran-2-yl)aniline
CID 130506634
1,2,3-trichloro-4-[2-(difluoromethoxy)-3-fluorophenyl]benzene
CID 118826152
1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene
CID 118847360
2,6-dichloro-3-(2,3,4-trichlorophenyl)pyridine
CID 118997066
5-chloro-2-(2,3,4-trichlorophenyl)pyridin-3-amine
CID 134624210
5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine
CID 134629217

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2,3,4-trichlorophenyl)aniline?
The IUPAC name of 2-chloro-3-(2,3,4-trichlorophenyl)aniline (CID 134624040) is 2-chloro-3-(2,3,4-trichlorophenyl)aniline.
What is the SMILES notation for 2-chloro-3-(2,3,4-trichlorophenyl)aniline?
The canonical SMILES for 2-chloro-3-(2,3,4-trichlorophenyl)aniline is Nc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl.
What is the InChIKey of 2-chloro-3-(2,3,4-trichlorophenyl)aniline?
The InChIKey is RQJHHEHPXHFPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4N/c13-8-5-4-7(11(15)12(8)16)6-2-1-3-9(17)10(6)14/h1-5H,17H2.
What are the key properties of 2-chloro-3-(2,3,4-trichlorophenyl)aniline?
2-chloro-3-(2,3,4-trichlorophenyl)aniline has a molecular weight of 307.01 g/mol, XLogP of 5.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2,3,4-trichlorophenyl)aniline is sourced from PubChem (CID 134624040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).