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857088-45-0 | 3-IODO-TEREPHTHALAMIC ACID
CAS No: 857088-45-0 Catalog No: AG004PP2 MDL No:
Product Description
Catalog Number:
AG004PP2
Chemical Name:
3-IODO-TEREPHTHALAMIC ACID
CAS Number:
857088-45-0
Molecular Formula:
C8H6INO3
Molecular Weight:
291.0426
IUPAC Name:
4-carbamoyl-3-iodobenzoic acid
InChI:
InChI=1S/C8H6INO3/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3H,(H2,10,11)(H,12,13)
InChI Key:
DQLKCCDZCPIDOR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)I)C(=O)N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.939g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.044g/mol
Monoisotopic Mass:
290.939g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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