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1261481-69-9 | Benzonitrile, 2-iodo-3-nitro-
CAS No: 1261481-69-9 Catalog No: AG000RSZ MDL No:
Product Description
Catalog Number:
AG000RSZ
Chemical Name:
Benzonitrile, 2-iodo-3-nitro-
CAS Number:
1261481-69-9
Molecular Formula:
C7H3IN2O2
Molecular Weight:
274.0154
IUPAC Name:
2-iodo-3-nitrobenzonitrile
InChI:
InChI=1S/C7H3IN2O2/c8-7-5(4-9)2-1-3-6(7)10(11)12/h1-3H
InChI Key:
FHSKPYHWPWAWOL-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1I)[N+](=O)[O-]
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.924g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.017g/mol
Monoisotopic Mass:
273.924g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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