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101420-79-5 | Benzonitrile, 4-iodo-3-nitro-
CAS No: 101420-79-5 Catalog No: AG0004H2 MDL No:MFCD07783655
Product Description
Catalog Number:
AG0004H2
Chemical Name:
Benzonitrile, 4-iodo-3-nitro-
CAS Number:
101420-79-5
Molecular Formula:
C7H3IN2O2
Molecular Weight:
274.0154
MDL Number:
MFCD07783655
IUPAC Name:
4-iodo-3-nitrobenzonitrile
InChI:
InChI=1S/C7H3IN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
InChI Key:
PZAMZPVQVFOYHP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])I
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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