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111160-45-3 | Benzoic acid, 4-iodo-, 1-methylethyl ester
CAS No: 111160-45-3 Catalog No: AG0082VW MDL No:
Product Description
Catalog Number:
AG0082VW
Chemical Name:
Benzoic acid, 4-iodo-, 1-methylethyl ester
CAS Number:
111160-45-3
Molecular Formula:
C10H11IO2
Molecular Weight:
290.0976
IUPAC Name:
propan-2-yl 4-iodobenzoate
InChI:
InChI=1S/C10H11IO2/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7H,1-2H3
InChI Key:
SXFVSQLXRDMMJP-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1ccc(cc1)I)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.98g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.1g/mol
Monoisotopic Mass:
289.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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