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Home > Nitro Compounds > 1289211-06-8
1289211-06-8 | 2-formyl-5-nitrobenzonitrile
CAS No: 1289211-06-8 Catalog No: AG01C5DQ MDL No:MFCD24253731
Product Description
Catalog Number:
AG01C5DQ
Chemical Name:
2-formyl-5-nitrobenzonitrile
CAS Number:
1289211-06-8
Molecular Formula:
C8H4N2O3
Molecular Weight:
176.1290
MDL Number:
MFCD24253731
IUPAC Name:
2-formyl-5-nitrobenzonitrile
InChI:
InChI=1S/C8H4N2O3/c9-4-7-3-8(10(12)13)2-1-6(7)5-11/h1-3,5H
InChI Key:
SXRMEBLQKUIQIW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C=O)[N+](=O)[O-]
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.131g/mol
Monoisotopic Mass:
176.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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