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148490-97-5 | Benzoic acid, 4-iodo-2-methoxy-, methyl ester
CAS No: 148490-97-5 Catalog No: AG001KYF MDL No:MFCD06797865
Product Description
Catalog Number:
AG001KYF
Chemical Name:
Benzoic acid, 4-iodo-2-methoxy-, methyl ester
CAS Number:
148490-97-5
Molecular Formula:
C9H9IO3
Molecular Weight:
292.0704
MDL Number:
MFCD06797865
IUPAC Name:
methyl 4-iodo-2-methoxybenzoate
InChI:
InChI=1S/C9H9IO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3
InChI Key:
MCNOTXROWOGSGU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1OC)I
EC Number:
604-637-0
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.072g/mol
Monoisotopic Mass:
291.96g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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