(2,5-dichloro-4-nitrophenoxy)-trimethylsilane

C9H11Cl2NO3Si — CID 167719977

IUPAC(2,5-dichloro-4-nitrophenoxy)-trimethylsilane
SMILESC[Si](C)(C)Oc1cc(Cl)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H11Cl2NO3Si/c1-16(2,3)15-9-5-6(10)8(12(13)14)4-7(9)11/h4-5H,1-3H3
InChIKeyAAULTWNIAONMAT-UHFFFAOYSA-N
MW280.18 g/mol
LogP4.12
Rot. Bonds3

About (2,5-dichloro-4-nitrophenoxy)-trimethylsilane

(2,5-dichloro-4-nitrophenoxy)-trimethylsilane (PubChem CID 167719977) has the molecular formula C9H11Cl2NO3Si and a molecular weight of 280.18 g/mol. Its IUPAC name is (2,5-dichloro-4-nitrophenoxy)-trimethylsilane.

Molecular Properties

Compound Name(2,5-dichloro-4-nitrophenoxy)-trimethylsilane
PubChem CID167719977
Molecular FormulaC9H11Cl2NO3Si
Molecular Weight280.18 g/mol
Exact Mass278.99
IUPAC Name(2,5-dichloro-4-nitrophenoxy)-trimethylsilane
SMILESC[Si](C)(C)Oc1cc(Cl)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H11Cl2NO3Si/c1-16(2,3)15-9-5-6(10)8(12(13)14)4-7(9)11/h4-5H,1-3H3
InChIKeyAAULTWNIAONMAT-UHFFFAOYSA-N
XLogP4.12
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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

1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene
CID 57162217
1,4-dichloro-2-nitro-5-(1,1,2,2,2-pentafluoroethoxy)benzene
CID 23052546
1-bromo-4-chloro-2-methoxy-5-nitrobenzene
CID 126419830
[4-(chloromethyl)-2-nitrophenoxy]-trimethylsilane
CID 167726624
1-chloro-2,5-dimethoxy-4-nitrobenzene;methanol
CID 174813767
1-chloro-5-(difluoromethoxy)-4-methyl-2-nitrobenzene
CID 118850656
2-chloro-4,5-dimethoxyaniline;1-chloro-4,5-dimethoxy-2-nitrobenzene;dichlorotin
CID 165072358
5-chloro-2-methoxy-4-nitrobenzonitrile
CID 154102599
2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine
CID 107499610
2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene
CID 107724224
3-(4,5-dichloro-2-nitrophenoxy)butan-2-ol
CID 107501296
3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine
CID 115556274

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-4-nitrophenoxy)-trimethylsilane?
The IUPAC name of (2,5-dichloro-4-nitrophenoxy)-trimethylsilane (CID 167719977) is (2,5-dichloro-4-nitrophenoxy)-trimethylsilane.
What is the SMILES notation for (2,5-dichloro-4-nitrophenoxy)-trimethylsilane?
The canonical SMILES for (2,5-dichloro-4-nitrophenoxy)-trimethylsilane is C[Si](C)(C)Oc1cc(Cl)c([N+](=O)[O-])cc1Cl.
What is the InChIKey of (2,5-dichloro-4-nitrophenoxy)-trimethylsilane?
The InChIKey is AAULTWNIAONMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO3Si/c1-16(2,3)15-9-5-6(10)8(12(13)14)4-7(9)11/h4-5H,1-3H3.
What are the key properties of (2,5-dichloro-4-nitrophenoxy)-trimethylsilane?
(2,5-dichloro-4-nitrophenoxy)-trimethylsilane has a molecular weight of 280.18 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-4-nitrophenoxy)-trimethylsilane is sourced from PubChem (CID 167719977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).