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898778-16-0 | 5-(1,3-DIOXOLAN-2-YL)-2-(4-IODOBENZOYL)THIOPHENE
CAS No: 898778-16-0 Catalog No: AG00GXF9 MDL No:
Product Description
Catalog Number:
AG00GXF9
Chemical Name:
5-(1,3-DIOXOLAN-2-YL)-2-(4-IODOBENZOYL)THIOPHENE
CAS Number:
898778-16-0
Molecular Formula:
C14H11IO3S
Molecular Weight:
386.2048
IUPAC Name:
[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(4-iodophenyl)methanone
InChI:
InChI=1S/C14H11IO3S/c15-10-3-1-9(2-4-10)13(16)11-5-6-12(19-11)14-17-7-8-18-14/h1-6,14H,7-8H2
InChI Key:
IVUFECODFWKOGF-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)C(=O)c1ccc(s1)C1OCCO1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.947g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.203g/mol
Monoisotopic Mass:
385.947g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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