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19094-52-1 | Benzoic acid, 2-(acetylamino)-3,5-diiodo-
CAS No: 19094-52-1 Catalog No: AG002EXH MDL No:
Product Description
Catalog Number:
AG002EXH
Chemical Name:
Benzoic acid, 2-(acetylamino)-3,5-diiodo-
CAS Number:
19094-52-1
Molecular Formula:
C9H7I2NO3
Molecular Weight:
430.9657
IUPAC Name:
2-acetamido-3,5-diiodobenzoic acid
InChI:
InChI=1S/C9H7I2NO3/c1-4(13)12-8-6(9(14)15)2-5(10)3-7(8)11/h2-3H,1H3,(H,12,13)(H,14,15)
InChI Key:
RXUZIZREGNCEBC-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1c(I)cc(cc1C(=O)O)I
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.852g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
430.968g/mol
Monoisotopic Mass:
430.852g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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