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103204-07-5 | 4-Iodo-3-Methylbenzoic Acid Ethyl Ester
CAS No: 103204-07-5 Catalog No: AG00H9ZX MDL No:MFCD12923263
Product Description
Catalog Number:
AG00H9ZX
Chemical Name:
4-Iodo-3-Methylbenzoic Acid Ethyl Ester
CAS Number:
103204-07-5
Molecular Formula:
C10H11IO2
Molecular Weight:
290.0976
MDL Number:
MFCD12923263
IUPAC Name:
ethyl 4-iodo-3-methylbenzoate
InChI:
InChI=1S/C10H11IO2/c1-3-13-10(12)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3
InChI Key:
POCCTDZBWSWSQQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)C)I
Properties
Complexity:
182
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:
3.2
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