[chloro(nitro)phosphoryl]oxymethylbenzene

C7H7ClNO4P — CID 174417021

IUPAC[chloro(nitro)phosphoryl]oxymethylbenzene
SMILESO=[N+]([O-])P(=O)(Cl)OCc1ccccc1
InChIInChI=1S/C7H7ClNO4P/c8-14(12,9(10)11)13-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyGTPYEORQALLBRT-UHFFFAOYSA-N
MW235.56 g/mol
LogP2.83
Rot. Bonds4

About [chloro(nitro)phosphoryl]oxymethylbenzene

[chloro(nitro)phosphoryl]oxymethylbenzene (PubChem CID 174417021) has the molecular formula C7H7ClNO4P and a molecular weight of 235.56 g/mol. Its IUPAC name is [chloro(nitro)phosphoryl]oxymethylbenzene.

Molecular Properties

Compound Name[chloro(nitro)phosphoryl]oxymethylbenzene
PubChem CID174417021
Molecular FormulaC7H7ClNO4P
Molecular Weight235.56 g/mol
Exact Mass234.98
IUPAC Name[chloro(nitro)phosphoryl]oxymethylbenzene
SMILESO=[N+]([O-])P(=O)(Cl)OCc1ccccc1
InChIInChI=1S/C7H7ClNO4P/c8-14(12,9(10)11)13-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyGTPYEORQALLBRT-UHFFFAOYSA-N
XLogP2.83
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.56
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
[amino(phenylmethoxy)phosphoryl]oxymethylbenzene;S-(2-nitrophenyl)thiohydroxylamine
CID 160843449
dibenzyl hydrogen phosphate;silver
CID 85301331
phenylmethoxymethyl nitrate
CID 152715822
2-chloro-N-(2-chloroethyl)-N-[chloro(phenylmethoxy)phosphoryl]ethan(15N)amine
CID 10019617
[chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene
CID 134897580
dibenzyl 2-(4-nitrophenyl)ethyl phosphate
CID 141046350
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane
CID 162188865
dibenzyl chloromethyl phosphate;ethane
CID 144742868
benzyl nitrate;toluene
CID 175247849

Frequently Asked Questions

What is the IUPAC name of [chloro(nitro)phosphoryl]oxymethylbenzene?
The IUPAC name of [chloro(nitro)phosphoryl]oxymethylbenzene (CID 174417021) is [chloro(nitro)phosphoryl]oxymethylbenzene.
What is the SMILES notation for [chloro(nitro)phosphoryl]oxymethylbenzene?
The canonical SMILES for [chloro(nitro)phosphoryl]oxymethylbenzene is O=[N+]([O-])P(=O)(Cl)OCc1ccccc1.
What is the InChIKey of [chloro(nitro)phosphoryl]oxymethylbenzene?
The InChIKey is GTPYEORQALLBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClNO4P/c8-14(12,9(10)11)13-6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of [chloro(nitro)phosphoryl]oxymethylbenzene?
[chloro(nitro)phosphoryl]oxymethylbenzene has a molecular weight of 235.56 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(nitro)phosphoryl]oxymethylbenzene is sourced from PubChem (CID 174417021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).