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101300-27-0

101300-27-0 | Phosphonic acid, (1-chloro-1-methyl-2-oxoethyl)-, diethyl ester (9CI)

CAS No: 101300-27-0 Catalog No: AG00046E MDL No:

Product Description

Catalog Number:
AG00046E
Chemical Name:
Phosphonic acid, (1-chloro-1-methyl-2-oxoethyl)-, diethyl ester (9CI)
CAS Number:
101300-27-0
Molecular Formula:
C7H14ClO4P
Molecular Weight:
228.6104
IUPAC Name:
2-chloro-2-diethoxyphosphorylpropanal
InChI:
InChI=1S/C7H14ClO4P/c1-4-11-13(10,12-5-2)7(3,8)6-9/h6H,4-5H2,1-3H3
InChI Key:
MXEDJKNUANGWAD-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(C=O)(Cl)C)OCC

Properties

Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.032g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.609g/mol
Monoisotopic Mass:
228.032g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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