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111877-76-0 | Quinoline, 3-(1,3-dioxolan-2-yl)-2-iodo-
CAS No: 111877-76-0 Catalog No: AG007DG7 MDL No:
Product Description
Catalog Number:
AG007DG7
Chemical Name:
Quinoline, 3-(1,3-dioxolan-2-yl)-2-iodo-
CAS Number:
111877-76-0
Molecular Formula:
C12H10INO2
Molecular Weight:
327.1178
IUPAC Name:
3-(1,3-dioxolan-2-yl)-2-iodoquinoline
InChI:
InChI=1S/C12H10INO2/c13-11-9(12-15-5-6-16-12)7-8-3-1-2-4-10(8)14-11/h1-4,7,12H,5-6H2
InChI Key:
JBCRJFBWNIMKMT-UHFFFAOYSA-N
SMILES:
Ic1nc2ccccc2cc1C1OCCO1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.976g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.121g/mol
Monoisotopic Mass:
326.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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