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54413-84-2 | 2-Iodo-4-methoxy-benzoic acid methyl ester
CAS No: 54413-84-2 Catalog No: AG00DK5E MDL No:MFCD18905183
Product Description
Catalog Number:
AG00DK5E
Chemical Name:
2-Iodo-4-methoxy-benzoic acid methyl ester
CAS Number:
54413-84-2
MDL Number:
MFCD18905183
IUPAC Name:
methyl 2-iodo-4-methoxybenzoate
InChI:
InChI=1S/C9H9IO3/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5H,1-2H3
InChI Key:
VCRNSLCBMOIYEN-UHFFFAOYSA-N
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:
2.4
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