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1094416-86-0 | 2-(4-iodobenzoyl)oxolane
CAS No: 1094416-86-0 Catalog No: AG019ZO4 MDL No:MFCD11210542
Product Description
Catalog Number:
AG019ZO4
Chemical Name:
2-(4-iodobenzoyl)oxolane
CAS Number:
1094416-86-0
Molecular Formula:
C11H11IO2
Molecular Weight:
302.1083
MDL Number:
MFCD11210542
IUPAC Name:
(4-iodophenyl)-(oxolan-2-yl)methanone
InChI:
InChI=1S/C11H11IO2/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h3-6,10H,1-2,7H2
InChI Key:
NIGUUNWVSSBRBS-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)C(=O)C1CCCO1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.98g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.111g/mol
Monoisotopic Mass:
301.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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