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140430-71-3 | Benzoic acid, 4-azido-3-iodo-
CAS No: 140430-71-3 Catalog No: AG001CFQ MDL No:
Product Description
Catalog Number:
AG001CFQ
Chemical Name:
Benzoic acid, 4-azido-3-iodo-
CAS Number:
140430-71-3
Molecular Formula:
C7H4IN3O2
Molecular Weight:
289.0300
IUPAC Name:
4-azido-3-iodobenzoic acid
InChI:
InChI=1S/C7H4IN3O2/c8-5-3-4(7(12)13)1-2-6(5)10-11-9/h1-3H,(H,12,13)
InChI Key:
KOAKCFDGKVJDOI-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1I)C(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.935g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.032g/mol
Monoisotopic Mass:
288.935g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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