N,N-dichloro-2-nitroaniline

C6H4Cl2N2O2 — CID 13272655

IUPACN,N-dichloro-2-nitroaniline
SMILESO=[N+]([O-])c1ccccc1N(Cl)Cl
InChIInChI=1S/C6H4Cl2N2O2/c7-9(8)5-3-1-2-4-6(5)10(11)12/h1-4H
InChIKeyBSUFVRGLMWXUDX-UHFFFAOYSA-N
MW207.02 g/mol
LogP2.71
Rot. Bonds2

About N,N-dichloro-2-nitroaniline

N,N-dichloro-2-nitroaniline (PubChem CID 13272655) has the molecular formula C6H4Cl2N2O2 and a molecular weight of 207.02 g/mol. Its IUPAC name is N,N-dichloro-2-nitroaniline.

Molecular Properties

Compound NameN,N-dichloro-2-nitroaniline
PubChem CID13272655
Molecular FormulaC6H4Cl2N2O2
Molecular Weight207.02 g/mol
Exact Mass205.96
IUPAC NameN,N-dichloro-2-nitroaniline
SMILESO=[N+]([O-])c1ccccc1N(Cl)Cl
InChIInChI=1S/C6H4Cl2N2O2/c7-9(8)5-3-1-2-4-6(5)10(11)12/h1-4H
InChIKeyBSUFVRGLMWXUDX-UHFFFAOYSA-N
XLogP2.71
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.02
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-chloro-2,3-dinitro-N-phenylaniline
CID 174493195
N-methyl-N-(2-nitrophenyl)methanesulfonamide
CID 13314625
N-(2-nitrophenyl)-N-(trifluoromethyl)nitramide
CID 154322390
azanide;1,2-dinitrobenzene;platinum
CID 158959684
N,N-bis(methoxymethyl)-2-nitroaniline
CID 142764651
(N-bromo-2-nitroanilino) formate
CID 174813515
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
disodium;hydride;2-nitrophenol
CID 174745512
methanol;2-nitrophenol
CID 157303764
4-(N-methyl-2-nitroanilino)benzonitrile
CID 62983487
1-chloro-2-nitrobenzene;2-nitrophenol
CID 175689577
2-chlorophenol;2-nitrophenol
CID 23467444

Frequently Asked Questions

What is the IUPAC name of N,N-dichloro-2-nitroaniline?
The IUPAC name of N,N-dichloro-2-nitroaniline (CID 13272655) is N,N-dichloro-2-nitroaniline.
What is the SMILES notation for N,N-dichloro-2-nitroaniline?
The canonical SMILES for N,N-dichloro-2-nitroaniline is O=[N+]([O-])c1ccccc1N(Cl)Cl.
What is the InChIKey of N,N-dichloro-2-nitroaniline?
The InChIKey is BSUFVRGLMWXUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O2/c7-9(8)5-3-1-2-4-6(5)10(11)12/h1-4H.
What are the key properties of N,N-dichloro-2-nitroaniline?
N,N-dichloro-2-nitroaniline has a molecular weight of 207.02 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichloro-2-nitroaniline is sourced from PubChem (CID 13272655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).