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103440-56-8 | Benzoic acid, 2-iodo-4-methyl-, methyl ester
CAS No: 103440-56-8 Catalog No: AG007GOS MDL No:
Product Description
Catalog Number:
AG007GOS
Chemical Name:
Benzoic acid, 2-iodo-4-methyl-, methyl ester
CAS Number:
103440-56-8
Molecular Formula:
C9H9IO2
Molecular Weight:
276.0710
IUPAC Name:
methyl 2-iodo-4-methylbenzoate
InChI:
InChI=1S/C9H9IO2/c1-6-3-4-7(8(10)5-6)9(11)12-2/h3-5H,1-2H3
InChI Key:
QNAIWGOSUXHUKY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1I)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.073g/mol
Monoisotopic Mass:
275.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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