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2122-63-6 | 4-Amino-3-iodobenzoic acid
CAS No: 2122-63-6 Catalog No: AG003KPL MDL No:MFCD01660550
Product Description
Catalog Number:
AG003KPL
Chemical Name:
4-Amino-3-iodobenzoic acid
CAS Number:
2122-63-6
Molecular Formula:
C7H6INO2
Molecular Weight:
263.0325
MDL Number:
MFCD01660550
IUPAC Name:
4-amino-3-iodobenzoic acid
InChI:
InChI=1S/C7H6INO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H,10,11)
InChI Key:
FPLDDZRJTOXFCB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)I)N
NSC Number:
85381
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.944g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.034g/mol
Monoisotopic Mass:
262.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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