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1506652-97-6 | 5-iodo-2-(morpholin-4-yl)benzoic acid
CAS No: 1506652-97-6 Catalog No: AG01AF8I MDL No:MFCD23747642
Product Description
Catalog Number:
AG01AF8I
Chemical Name:
5-iodo-2-(morpholin-4-yl)benzoic acid
CAS Number:
1506652-97-6
Molecular Formula:
C11H12INO3
Molecular Weight:
333.1223
MDL Number:
MFCD23747642
IUPAC Name:
5-iodo-2-morpholin-4-ylbenzoic acid
InChI:
InChI=1S/C11H12INO3/c12-8-1-2-10(9(7-8)11(14)15)13-3-5-16-6-4-13/h1-2,7H,3-6H2,(H,14,15)
InChI Key:
ZCRSMLAGUFTKGL-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)C(=O)O)N1CCOCC1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.986g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.125g/mol
Monoisotopic Mass:
332.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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