dichloro (4-cyanophenyl) phosphate

C7H4Cl2NO4P — CID 177310263

IUPACdichloro (4-cyanophenyl) phosphate
SMILESN#Cc1ccc(OP(=O)(OCl)OCl)cc1
InChIInChI=1S/C7H4Cl2NO4P/c8-13-15(11,14-9)12-7-3-1-6(5-10)2-4-7/h1-4H
InChIKeyWMPRGFMTZFCFKT-UHFFFAOYSA-N
MW267.99 g/mol
LogP3.39
Rot. Bonds4

About dichloro (4-cyanophenyl) phosphate

dichloro (4-cyanophenyl) phosphate (PubChem CID 177310263) has the molecular formula C7H4Cl2NO4P and a molecular weight of 267.99 g/mol. Its IUPAC name is dichloro (4-cyanophenyl) phosphate.

Molecular Properties

Compound Namedichloro (4-cyanophenyl) phosphate
PubChem CID177310263
Molecular FormulaC7H4Cl2NO4P
Molecular Weight267.99 g/mol
Exact Mass266.93
IUPAC Namedichloro (4-cyanophenyl) phosphate
SMILESN#Cc1ccc(OP(=O)(OCl)OCl)cc1
InChIInChI=1S/C7H4Cl2NO4P/c8-13-15(11,14-9)12-7-3-1-6(5-10)2-4-7/h1-4H
InChIKeyWMPRGFMTZFCFKT-UHFFFAOYSA-N
XLogP3.39
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.99
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tris(4-cyanophenyl) phosphate
CID 23192181
4-bis(4-cyanophenoxy)phosphinothioyloxybenzonitrile
CID 101396181
(4-tert-butylphenyl) dichloro phosphate
CID 141025972
4-[(4-methoxyphenoxy)-methylphosphoryl]oxybenzonitrile
CID 10017840
4-(2-chloroethoxy)benzonitrile
CID 12503864
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[hydroxy(phenoxy)phosphinothioyl]oxybenzonitrile
CID 18783591
4-methoxy(13C)benzonitrile
CID 175991125
dichloro phenyl phosphate;oxolane
CID 174867172
4-[(1S,2R)-1,2-dibromopropoxy]benzonitrile
CID 101236148
argon;4-(4-chlorophenoxy)benzonitrile
CID 158538207
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863

Frequently Asked Questions

What is the IUPAC name of dichloro (4-cyanophenyl) phosphate?
The IUPAC name of dichloro (4-cyanophenyl) phosphate (CID 177310263) is dichloro (4-cyanophenyl) phosphate.
What is the SMILES notation for dichloro (4-cyanophenyl) phosphate?
The canonical SMILES for dichloro (4-cyanophenyl) phosphate is N#Cc1ccc(OP(=O)(OCl)OCl)cc1.
What is the InChIKey of dichloro (4-cyanophenyl) phosphate?
The InChIKey is WMPRGFMTZFCFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2NO4P/c8-13-15(11,14-9)12-7-3-1-6(5-10)2-4-7/h1-4H.
What are the key properties of dichloro (4-cyanophenyl) phosphate?
dichloro (4-cyanophenyl) phosphate has a molecular weight of 267.99 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro (4-cyanophenyl) phosphate is sourced from PubChem (CID 177310263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).