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118546-18-2 | Benzoic acid, 4-iodo-, (2-propyl-2-oxetanyl)methyl ester
CAS No: 118546-18-2 Catalog No: AG01APVG MDL No:MFCD22587874
Product Description
Catalog Number:
AG01APVG
Chemical Name:
Benzoic acid, 4-iodo-, (2-propyl-2-oxetanyl)methyl ester
CAS Number:
118546-18-2
MDL Number:
MFCD22587874
IUPAC Name:
(3-propyloxetan-3-yl)methyl 4-iodobenzoate
InChI:
InChI=1S/C14H17IO3/c1-2-7-14(8-17-9-14)10-18-13(16)11-3-5-12(15)6-4-11/h3-6H,2,7-10H2,1H3
InChI Key:
DQCIHZKPGUJKAM-UHFFFAOYSA-N
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.022g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.191g/mol
Monoisotopic Mass:
360.022g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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