6-bromo-3-chloro-2-(2-chlorophenoxy)aniline

C12H8BrCl2NO — CID 170702693

IUPAC6-bromo-3-chloro-2-(2-chlorophenoxy)aniline
SMILESNc1c(Br)ccc(Cl)c1Oc1ccccc1Cl
InChIInChI=1S/C12H8BrCl2NO/c13-7-5-6-9(15)12(11(7)16)17-10-4-2-1-3-8(10)14/h1-6H,16H2
InChIKeyFZDUIEBWTQQPNM-UHFFFAOYSA-N
MW333.01 g/mol
LogP5.13
Rot. Bonds2

About 6-bromo-3-chloro-2-(2-chlorophenoxy)aniline

6-bromo-3-chloro-2-(2-chlorophenoxy)aniline (PubChem CID 170702693) has the molecular formula C12H8BrCl2NO and a molecular weight of 333.01 g/mol. Its IUPAC name is 6-bromo-3-chloro-2-(2-chlorophenoxy)aniline.

Molecular Properties

Compound Name6-bromo-3-chloro-2-(2-chlorophenoxy)aniline
PubChem CID170702693
Molecular FormulaC12H8BrCl2NO
Molecular Weight333.01 g/mol
Exact Mass330.92
IUPAC Name6-bromo-3-chloro-2-(2-chlorophenoxy)aniline
SMILESNc1c(Br)ccc(Cl)c1Oc1ccccc1Cl
InChIInChI=1S/C12H8BrCl2NO/c13-7-5-6-9(15)12(11(7)16)17-10-4-2-1-3-8(10)14/h1-6H,16H2
InChIKeyFZDUIEBWTQQPNM-UHFFFAOYSA-N
XLogP5.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.01
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-(2-iodophenoxy)aniline
CID 43479593
azane;1-chloro-2-phenoxybenzene
CID 68980819
1-bromo-4-(2-chlorophenoxy)benzene
CID 21454528
2-(2-chlorophenoxy)-3,4-difluoroaniline
CID 62533366
2-bromo-4-chloro-1-(2-chlorophenoxy)benzene
CID 169336335
2-(2-chlorophenoxy)-6-fluoroaniline
CID 60790440
2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-amine
CID 114044060
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
5-chloro-4-(2-chlorophenoxy)-2-methylaniline
CID 118588956
3-chloro-2-(2,5-dichlorophenoxy)aniline
CID 29030363
2-amino-3-(2-chlorophenoxy)benzonitrile
CID 104717133
4-chloro-6-(2-chlorophenoxy)pyrimidin-5-amine
CID 46172362

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-2-(2-chlorophenoxy)aniline?
The IUPAC name of 6-bromo-3-chloro-2-(2-chlorophenoxy)aniline (CID 170702693) is 6-bromo-3-chloro-2-(2-chlorophenoxy)aniline.
What is the SMILES notation for 6-bromo-3-chloro-2-(2-chlorophenoxy)aniline?
The canonical SMILES for 6-bromo-3-chloro-2-(2-chlorophenoxy)aniline is Nc1c(Br)ccc(Cl)c1Oc1ccccc1Cl.
What is the InChIKey of 6-bromo-3-chloro-2-(2-chlorophenoxy)aniline?
The InChIKey is FZDUIEBWTQQPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2NO/c13-7-5-6-9(15)12(11(7)16)17-10-4-2-1-3-8(10)14/h1-6H,16H2.
What are the key properties of 6-bromo-3-chloro-2-(2-chlorophenoxy)aniline?
6-bromo-3-chloro-2-(2-chlorophenoxy)aniline has a molecular weight of 333.01 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-2-(2-chlorophenoxy)aniline is sourced from PubChem (CID 170702693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).