3-chloro-2-(chloromethyl)-6-nitrophenol

C7H5Cl2NO3 — CID 154191043

IUPAC3-chloro-2-(chloromethyl)-6-nitrophenol
SMILESO=[N+]([O-])c1ccc(Cl)c(CCl)c1O
InChIInChI=1S/C7H5Cl2NO3/c8-3-4-5(9)1-2-6(7(4)11)10(12)13/h1-2,11H,3H2
InChIKeyMAJHPYOVFKBIMN-UHFFFAOYSA-N
MW222.03 g/mol
LogP2.69
Rot. Bonds2

About 3-chloro-2-(chloromethyl)-6-nitrophenol

3-chloro-2-(chloromethyl)-6-nitrophenol (PubChem CID 154191043) has the molecular formula C7H5Cl2NO3 and a molecular weight of 222.03 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-6-nitrophenol.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-6-nitrophenol
PubChem CID154191043
Molecular FormulaC7H5Cl2NO3
Molecular Weight222.03 g/mol
Exact Mass220.96
IUPAC Name3-chloro-2-(chloromethyl)-6-nitrophenol
SMILESO=[N+]([O-])c1ccc(Cl)c(CCl)c1O
InChIInChI=1S/C7H5Cl2NO3/c8-3-4-5(9)1-2-6(7(4)11)10(12)13/h1-2,11H,3H2
InChIKeyMAJHPYOVFKBIMN-UHFFFAOYSA-N
XLogP2.69
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

2-(2,6-dichloro-3-nitrophenyl)acetic acid
CID 54265437
(2,3-dichloro-6-nitrophenyl)methanol
CID 11160370
2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol
CID 131505079
2-[(1S)-1-amino-2-fluoroethyl]-6-chloro-3-nitrophenol;hydrochloride
CID 171258755
3-chloro-4-nitrobenzene-1,2-diol
CID 68960315
2-(6-chloro-2,3-dinitrophenyl)acetaldehyde
CID 54324758
3-(chloromethyl)-4-nitrophenol
CID 15065078
1,2-dichloro-3-ethyl-4-nitrobenzene
CID 66639996
1,2-bis(chloromethyl)-3,4-dinitrobenzene
CID 18692905
1-chloro-2-(chloromethyl)-3-(3-chloro-4-nitrophenoxy)benzene
CID 63566974
3-chloro-5-nitro-1-benzothiophen-4-ol
CID 91756096
2-butyl-3,6-dinitrophenol
CID 101292289

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-6-nitrophenol?
The IUPAC name of 3-chloro-2-(chloromethyl)-6-nitrophenol (CID 154191043) is 3-chloro-2-(chloromethyl)-6-nitrophenol.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-6-nitrophenol?
The canonical SMILES for 3-chloro-2-(chloromethyl)-6-nitrophenol is O=[N+]([O-])c1ccc(Cl)c(CCl)c1O.
What is the InChIKey of 3-chloro-2-(chloromethyl)-6-nitrophenol?
The InChIKey is MAJHPYOVFKBIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO3/c8-3-4-5(9)1-2-6(7(4)11)10(12)13/h1-2,11H,3H2.
What are the key properties of 3-chloro-2-(chloromethyl)-6-nitrophenol?
3-chloro-2-(chloromethyl)-6-nitrophenol has a molecular weight of 222.03 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-6-nitrophenol is sourced from PubChem (CID 154191043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).