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124034-99-7 | Benzonitrile, 4-hydroxy-2-iodo-6-nitro-
CAS No: 124034-99-7 Catalog No: AG000LG8 MDL No:
Product Description
Catalog Number:
AG000LG8
Chemical Name:
Benzonitrile, 4-hydroxy-2-iodo-6-nitro-
CAS Number:
124034-99-7
Molecular Formula:
C7H3IN2O3
Molecular Weight:
290.0148
IUPAC Name:
4-hydroxy-2-iodo-6-nitrobenzonitrile
InChI:
InChI=1S/C7H3IN2O3/c8-6-1-4(11)2-7(10(12)13)5(6)3-9/h1-2,11H
InChI Key:
HVRXHOKJHFUMDT-UHFFFAOYSA-N
SMILES:
N#Cc1c(I)cc(cc1[N+](=O)[O-])O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.919g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.016g/mol
Monoisotopic Mass:
289.919g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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