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88631-39-4 | Phosphonic acid, (2-chloro-2-cyanoethyl)-, diethyl ester
CAS No: 88631-39-4 Catalog No: AG0049US MDL No:
Product Description
Catalog Number:
AG0049US
Chemical Name:
Phosphonic acid, (2-chloro-2-cyanoethyl)-, diethyl ester
CAS Number:
88631-39-4
Molecular Formula:
C7H13ClNO3P
Molecular Weight:
225.6098
IUPAC Name:
2-chloro-3-diethoxyphosphorylpropanenitrile
InChI:
InChI=1S/C7H13ClNO3P/c1-3-11-13(10,12-4-2)6-7(8)5-9/h7H,3-4,6H2,1-2H3
InChI Key:
YTLLGEULXSPIBO-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CC(C#N)Cl)OCC
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.032g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.609g/mol
Monoisotopic Mass:
225.032g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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