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91502-46-4 | Phenol, 4-azido-2-iodo-6-nitro-
CAS No: 91502-46-4 Catalog No: AG0069UK MDL No:
Product Description
Catalog Number:
AG0069UK
Chemical Name:
Phenol, 4-azido-2-iodo-6-nitro-
CAS Number:
91502-46-4
Molecular Formula:
C6H3IN4O3
Molecular Weight:
306.0175
IUPAC Name:
4-azido-2-iodo-6-nitrophenol
InChI:
InChI=1S/C6H3IN4O3/c7-4-1-3(9-10-8)2-5(6(4)12)11(13)14/h1-2,12H
InChI Key:
UHWLESZNJASJFX-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cc(I)c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.925g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.019g/mol
Monoisotopic Mass:
305.925g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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