[chloro-(4-nitrophenyl)methyl] formate

C8H6ClNO4 — CID 141219396

IUPAC[chloro-(4-nitrophenyl)methyl] formate
SMILESO=COC(Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H6ClNO4/c9-8(14-5-11)6-1-3-7(4-2-6)10(12)13/h1-5,8H
InChIKeyWDETXHONIBFKEU-UHFFFAOYSA-N
MW215.59 g/mol
LogP2.01
Rot. Bonds4

About [chloro-(4-nitrophenyl)methyl] formate

[chloro-(4-nitrophenyl)methyl] formate (PubChem CID 141219396) has the molecular formula C8H6ClNO4 and a molecular weight of 215.59 g/mol. Its IUPAC name is [chloro-(4-nitrophenyl)methyl] formate.

Molecular Properties

Compound Name[chloro-(4-nitrophenyl)methyl] formate
PubChem CID141219396
Molecular FormulaC8H6ClNO4
Molecular Weight215.59 g/mol
Exact Mass215.00
IUPAC Name[chloro-(4-nitrophenyl)methyl] formate
SMILESO=COC(Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H6ClNO4/c9-8(14-5-11)6-1-3-7(4-2-6)10(12)13/h1-5,8H
InChIKeyWDETXHONIBFKEU-UHFFFAOYSA-N
XLogP2.01
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.59
LogP ≤ 52.01
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-[1-chloro-2-[2-chloro-2-(4-nitrophenyl)ethoxy]ethyl]-4-nitrobenzene
CID 121005161
5-chloro-5-(4-nitrophenyl)pentanal
CID 87958731
chloromethane;(4-nitrophenyl) formate
CID 143083318
bis(4-nitrophenyl)methanol
CID 12768612
1-(difluoromethyl)-4-nitrobenzene
CID 640443
[chloro(phenyl)methyl] 4-nitrobenzenesulfonate
CID 151342937
1-nitro-4-[2,2,2-trichloro-1-(4-nitrophenyl)ethyl]benzene
CID 5102756
[nitrooxy-(4-nitrophenyl)methyl] nitrate
CID 15731305
1-(1-chloro-3-methoxypropyl)-4-nitrobenzene
CID 23269240
2,3-dichloro-3-(4-nitrophenyl)propanenitrile
CID 139607153
2-(4-nitrophenyl)-3-oxopropanenitrile
CID 54504719
1-chloro-1-(4-nitrophenyl)propan-2-one
CID 13381943

Frequently Asked Questions

What is the IUPAC name of [chloro-(4-nitrophenyl)methyl] formate?
The IUPAC name of [chloro-(4-nitrophenyl)methyl] formate (CID 141219396) is [chloro-(4-nitrophenyl)methyl] formate.
What is the SMILES notation for [chloro-(4-nitrophenyl)methyl] formate?
The canonical SMILES for [chloro-(4-nitrophenyl)methyl] formate is O=COC(Cl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [chloro-(4-nitrophenyl)methyl] formate?
The InChIKey is WDETXHONIBFKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO4/c9-8(14-5-11)6-1-3-7(4-2-6)10(12)13/h1-5,8H.
What are the key properties of [chloro-(4-nitrophenyl)methyl] formate?
[chloro-(4-nitrophenyl)methyl] formate has a molecular weight of 215.59 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-(4-nitrophenyl)methyl] formate is sourced from PubChem (CID 141219396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).