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41072-98-4 | 4-Acetyloxy-3,5-diiodobenzoic acid
CAS No: 41072-98-4 Catalog No: AG00CNXS MDL No:
Product Description
Catalog Number:
AG00CNXS
Chemical Name:
4-Acetyloxy-3,5-diiodobenzoic acid
CAS Number:
41072-98-4
IUPAC Name:
4-acetyloxy-3,5-diiodobenzoic acid
InChI:
InChI=1S/C9H6I2O4/c1-4(12)15-8-6(10)2-5(9(13)14)3-7(8)11/h2-3H,1H3,(H,13,14)
InChI Key:
JVPBGCMTWXCGAZ-UHFFFAOYSA-N
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.836g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.952g/mol
Monoisotopic Mass:
431.836g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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