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95192-58-8 | 2,6-DINITRO-4-IODOBENZOIC ACID
CAS No: 95192-58-8 Catalog No: AG006PAR MDL No:
Product Description
Catalog Number:
AG006PAR
Chemical Name:
2,6-DINITRO-4-IODOBENZOIC ACID
CAS Number:
95192-58-8
Molecular Formula:
C7H3IN2O6
Molecular Weight:
338.0130
IUPAC Name:
4-iodo-2,6-dinitrobenzoic acid
InChI:
InChI=1S/C7H3IN2O6/c8-3-1-4(9(13)14)6(7(11)12)5(2-3)10(15)16/h1-2H,(H,11,12)
InChI Key:
ICBYGRQHOGFPOM-UHFFFAOYSA-N
SMILES:
Ic1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C(=O)O
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.904g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.013g/mol
Monoisotopic Mass:
337.904g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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