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1131614-49-7 | 3-Iodo-4-(2-MethoxyacetaMido)benzoic acid
CAS No: 1131614-49-7 Catalog No: AG00HCMI MDL No:MFCD11110800
Product Description
Catalog Number:
AG00HCMI
Chemical Name:
3-Iodo-4-(2-MethoxyacetaMido)benzoic acid
CAS Number:
1131614-49-7
Molecular Formula:
C10H10INO4
Molecular Weight:
335.0952
MDL Number:
MFCD11110800
IUPAC Name:
3-iodo-4-[(2-methoxyacetyl)amino]benzoic acid
InChI:
InChI=1S/C10H10INO4/c1-16-5-9(13)12-8-3-2-6(10(14)15)4-7(8)11/h2-4H,5H2,1H3,(H,12,13)(H,14,15)
InChI Key:
AZMWCQFPCCJYTG-UHFFFAOYSA-N
SMILES:
COCC(=O)Nc1ccc(cc1I)C(=O)O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.965g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.097g/mol
Monoisotopic Mass:
334.965g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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