chloromethane;(4-nitrophenyl) formate

C8H8ClNO4 — CID 143083318

IUPACchloromethane;(4-nitrophenyl) formate
SMILESCCl.O=COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H5NO4.CH3Cl/c9-5-12-7-3-1-6(2-4-7)8(10)11;1-2/h1-5H;1H3
InChIKeyMNPBUWUELLCBJI-UHFFFAOYSA-N
MW217.61 g/mol
LogP1.99
Rot. Bonds3

About chloromethane;(4-nitrophenyl) formate

chloromethane;(4-nitrophenyl) formate (PubChem CID 143083318) has the molecular formula C8H8ClNO4 and a molecular weight of 217.61 g/mol. Its IUPAC name is chloromethane;(4-nitrophenyl) formate.

Molecular Properties

Compound Namechloromethane;(4-nitrophenyl) formate
PubChem CID143083318
Molecular FormulaC8H8ClNO4
Molecular Weight217.61 g/mol
Exact Mass217.01
IUPAC Namechloromethane;(4-nitrophenyl) formate
SMILESCCl.O=COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H5NO4.CH3Cl/c9-5-12-7-3-1-6(2-4-7)8(10)11;1-2/h1-5H;1H3
InChIKeyMNPBUWUELLCBJI-UHFFFAOYSA-N
XLogP1.99
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

1-(2,2-dichloroethenoxy)-4-nitrobenzene
CID 172715409
(3-methyl-5-nitrophenyl)boronic acid;(4-nitrophenyl) formate
CID 143045578
1-[1-[1,1-bis(4-nitrophenoxy)ethoxy]-1-(4-nitrophenoxy)ethoxy]-4-nitrobenzene
CID 20979717
1-(1,1-diiodoethoxy)-4-nitrobenzene
CID 163767908
2-(4-nitrophenoxy)ethyl formate
CID 91696305
CID 153008841
CID 153008841
1-(chloroamino)oxy-4-nitrobenzene
CID 143366644
1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene
CID 15217324
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
(4-ethyl-3-nitrophenyl) formate
CID 157109477
2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene
CID 13145675
dimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane
CID 154086636

Frequently Asked Questions

What is the IUPAC name of chloromethane;(4-nitrophenyl) formate?
The IUPAC name of chloromethane;(4-nitrophenyl) formate (CID 143083318) is chloromethane;(4-nitrophenyl) formate.
What is the SMILES notation for chloromethane;(4-nitrophenyl) formate?
The canonical SMILES for chloromethane;(4-nitrophenyl) formate is CCl.O=COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of chloromethane;(4-nitrophenyl) formate?
The InChIKey is MNPBUWUELLCBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4.CH3Cl/c9-5-12-7-3-1-6(2-4-7)8(10)11;1-2/h1-5H;1H3.
What are the key properties of chloromethane;(4-nitrophenyl) formate?
chloromethane;(4-nitrophenyl) formate has a molecular weight of 217.61 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;(4-nitrophenyl) formate is sourced from PubChem (CID 143083318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).