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51076-95-0 | 2-Chloro-1,1,1-triethoxyethane
CAS No: 51076-95-0 Catalog No: AG003GU9 MDL No:MFCD00142889
Product Description
Catalog Number:
AG003GU9
Chemical Name:
2-Chloro-1,1,1-triethoxyethane
CAS Number:
51076-95-0
Molecular Formula:
C8H17ClO3
Molecular Weight:
196.6718
MDL Number:
MFCD00142889
IUPAC Name:
2-chloro-1,1,1-triethoxyethane
InChI:
InChI=1S/C8H17ClO3/c1-4-10-8(7-9,11-5-2)12-6-3/h4-7H2,1-3H3
InChI Key:
URFKLQSFBXBOQU-UHFFFAOYSA-N
SMILES:
ClCC(OCC)(OCC)OCC
EC Number:
628-654-8
NSC Number:
203073
Properties
Complexity:
91.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.087g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.671g/mol
Monoisotopic Mass:
196.087g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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