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54413-93-3 | 2-IODO-5-METHOXYBENZOIC ACID
CAS No: 54413-93-3 Catalog No: AG00DHUL MDL No:MFCD00204590
Product Description
Catalog Number:
AG00DHUL
Chemical Name:
2-IODO-5-METHOXYBENZOIC ACID
CAS Number:
54413-93-3
Molecular Formula:
C8H7IO3
Molecular Weight:
278.0439
MDL Number:
MFCD00204590
IUPAC Name:
2-iodo-5-methoxybenzoic acid
InChI:
InChI=1S/C8H7IO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
DASWULXFGZZRIC-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)O)I
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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