(2-nitrophenyl)methyl deuteriophosphanylformate

C8H8NO4P — CID 59423019

IUPAC(2-nitrophenyl)methyl deuteriophosphanylformate
SMILES[2H]PC(=O)OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H8NO4P/c10-8(14)13-5-6-3-1-2-4-7(6)9(11)12/h1-4H,5,14H2/i14D
InChIKeyANQOMTBDLYPFLE-FCFVPJCTSA-N
MW214.14 g/mol
LogP2.11
Rot. Bonds4

About (2-nitrophenyl)methyl deuteriophosphanylformate

(2-nitrophenyl)methyl deuteriophosphanylformate (PubChem CID 59423019) has the molecular formula C8H8NO4P and a molecular weight of 214.14 g/mol. Its IUPAC name is (2-nitrophenyl)methyl deuteriophosphanylformate.

Molecular Properties

Compound Name(2-nitrophenyl)methyl deuteriophosphanylformate
PubChem CID59423019
Molecular FormulaC8H8NO4P
Molecular Weight214.14 g/mol
Exact Mass214.03
IUPAC Name(2-nitrophenyl)methyl deuteriophosphanylformate
SMILES[2H]PC(=O)OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H8NO4P/c10-8(14)13-5-6-3-1-2-4-7(6)9(11)12/h1-4H,5,14H2/i14D
InChIKeyANQOMTBDLYPFLE-FCFVPJCTSA-N
XLogP2.11
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 52.11
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

(2-nitrophenyl)methyl carbamate
CID 21490181
2-[(2-nitrophenyl)methoxy]-2-oxoacetic acid
CID 166021267
(2-nitrophenyl)methyl 2,2-dihydroxyacetate
CID 70483540
(2-nitrophenyl)methyl 2-phenylacetate
CID 2752985
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
bis[(2-nitrophenyl)methyl] piperazine-1,4-dicarboxylate
CID 87193432
(2-nitrophenyl)methyl 4-bromo-3,5-dinitrobenzoate
CID 126189108
(2-nitrophenyl)methoxymethanamine
CID 175012109
(Z)-3-ethyl-4-[(2-nitrophenyl)methoxy]pent-3-en-2-one
CID 153333064
(2-nitrophenyl)methyl naphthalene-1-carboxylate
CID 4572796
[ethyl-[(2-nitrophenyl)methoxycarbonyl]amino] 2-aminoacetate
CID 175027742
(2-bromophenyl)methyl 2-(2-nitrophenyl)acetate
CID 55316012

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)methyl deuteriophosphanylformate?
The IUPAC name of (2-nitrophenyl)methyl deuteriophosphanylformate (CID 59423019) is (2-nitrophenyl)methyl deuteriophosphanylformate.
What is the SMILES notation for (2-nitrophenyl)methyl deuteriophosphanylformate?
The canonical SMILES for (2-nitrophenyl)methyl deuteriophosphanylformate is [2H]PC(=O)OCc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2-nitrophenyl)methyl deuteriophosphanylformate?
The InChIKey is ANQOMTBDLYPFLE-FCFVPJCTSA-N. The full InChI is InChI=1S/C8H8NO4P/c10-8(14)13-5-6-3-1-2-4-7(6)9(11)12/h1-4H,5,14H2/i14D.
What are the key properties of (2-nitrophenyl)methyl deuteriophosphanylformate?
(2-nitrophenyl)methyl deuteriophosphanylformate has a molecular weight of 214.14 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)methyl deuteriophosphanylformate is sourced from PubChem (CID 59423019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).