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69320-80-5 molecular structure
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(2-chlorophenoxy)(phenylamino)phosphinoyl chloride

ChemBase ID: 130641
Molecular Formular: C12H10Cl2NO2P
Molecular Mass: 302.093061
Monoisotopic Mass: 300.98262056
SMILES and InChIs

SMILES:
c1ccc(cc1)NP(=O)(Oc1ccccc1Cl)Cl
Canonical SMILES:
Clc1ccccc1OP(=O)(Nc1ccccc1)Cl
InChI:
InChI=1S/C12H10Cl2NO2P/c13-11-8-4-5-9-12(11)17-18(14,16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)
InChIKey:
QJRUVOYDQLDFOE-UHFFFAOYSA-N

Cite this record

CBID:130641 http://www.chembase.cn/molecule-130641.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-chlorophenoxy)(phenylamino)phosphinoyl chloride
IUPAC Traditional name
2-chlorophenoxy(phenylamino)phosphinoyl chloride
Synonyms
2-Chlorophenyl anilidochlorophosphate
2-Chlorophenyl N-phenylchlorophosphoramidate
2-氯苯基 N-苯基氯氨基磷酸酯
CAS Number
69320-80-5
MDL Number
MFCD00038371
Beilstein Number
2862739
PubChem SID
24892709
162224919
PubChem CID
4048972

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
C4649 external link Add to cart Please log in.
Data Source Data ID
PubChem 4048972 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.379859  H Acceptors
H Donor LogD (pH = 5.5) 3.692007 
LogD (pH = 7.4) 3.6920109  Log P 3.692015 
Molar Refractivity 73.498 cm3 Polarizability 28.81907 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
German water hazard class
3 expand Show data source
Storage Temperature
-20°C expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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