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89718-92-3 | Acetonitrile, [4-chloro-2-(2-phenyl-1,3-dioxolan-2-yl)phenoxy]-
CAS No: 89718-92-3 Catalog No: AG0042BB MDL No:
Product Description
Catalog Number:
AG0042BB
Chemical Name:
Acetonitrile, [4-chloro-2-(2-phenyl-1,3-dioxolan-2-yl)phenoxy]-
CAS Number:
89718-92-3
Molecular Formula:
C17H14ClNO3
Molecular Weight:
315.7510
IUPAC Name:
2-[4-chloro-2-(2-phenyl-1,3-dioxolan-2-yl)phenoxy]acetonitrile
InChI:
InChI=1S/C17H14ClNO3/c18-14-6-7-16(20-9-8-19)15(12-14)17(21-10-11-22-17)13-4-2-1-3-5-13/h1-7,12H,9-11H2
InChI Key:
VJPJEJFFDRNLTR-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(cc1C1(OCCO1)c1ccccc1)Cl
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.066g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.753g/mol
Monoisotopic Mass:
315.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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