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116457-69-3 | Phosphorochloridous acid, bis(2-cyanoethyl) ester
CAS No: 116457-69-3 Catalog No: AG000CK1 MDL No:
Product Description
Catalog Number:
AG000CK1
Chemical Name:
Phosphorochloridous acid, bis(2-cyanoethyl) ester
CAS Number:
116457-69-3
Molecular Formula:
C6H8ClN2O2P
Molecular Weight:
206.5667
IUPAC Name:
3-[chloro(2-cyanoethoxy)phosphanyl]oxypropanenitrile
InChI:
InChI=1S/C6H8ClN2O2P/c7-12(10-5-1-3-8)11-6-2-4-9/h1-2,5-6H2
InChI Key:
KCXNVTFOZKHLBV-UHFFFAOYSA-N
SMILES:
ClP(OCCC#N)OCCC#N
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.001g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.566g/mol
Monoisotopic Mass:
206.001g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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