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22884-73-7 | 2-Acetyloxy-5-iodo-3-nitrobenzoic acid
CAS No: 22884-73-7 Catalog No: AG00BKCQ MDL No:
Product Description
Catalog Number:
AG00BKCQ
Chemical Name:
2-Acetyloxy-5-iodo-3-nitrobenzoic acid
CAS Number:
22884-73-7
IUPAC Name:
2-acetyloxy-5-iodo-3-nitrobenzoic acid
InChI:
InChI=1S/C9H6INO6/c1-4(12)17-8-6(9(13)14)2-5(10)3-7(8)11(15)16/h2-3H,1H3,(H,13,14)
InChI Key:
BKKTXUWONZPPNK-UHFFFAOYSA-N
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.924g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.052g/mol
Monoisotopic Mass:
350.924g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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