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68507-19-7 | 3-Iodo-4-methoxybenzoic acid
CAS No: 68507-19-7 Catalog No: AG005PSE MDL No:MFCD00017347
Product Description
Catalog Number:
AG005PSE
Chemical Name:
3-Iodo-4-methoxybenzoic acid
CAS Number:
68507-19-7
Molecular Formula:
C8H7IO3
Molecular Weight:
278.0438
MDL Number:
MFCD00017347
IUPAC Name:
3-iodo-4-methoxybenzoic acid
InChI:
InChI=1S/C8H7IO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)
InChI Key:
HNJSYSWRPCCSQI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1I)C(=O)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.944g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.045g/mol
Monoisotopic Mass:
277.944g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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