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89942-34-7 | 4-Iodo-2-methoxybenzoic acid
CAS No: 89942-34-7 Catalog No: AG003LKA MDL No:MFCD07780726
Product Description
Catalog Number:
AG003LKA
Chemical Name:
4-Iodo-2-methoxybenzoic acid
CAS Number:
89942-34-7
Molecular Formula:
C8H7IO3
Molecular Weight:
278.0438
MDL Number:
MFCD07780726
IUPAC Name:
4-iodo-2-methoxybenzoic acid
InChI:
InChI=1S/C8H7IO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
KKAZLRGZDIWYJT-UHFFFAOYSA-N
SMILES:
COc1cc(I)ccc1C(=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:
2.2
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