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Home > Imidazoles > 17417-11-7
17417-11-7 | 2-(1H-Imidazol-1-yl)-5-nitrobenzonitrile
CAS No: 17417-11-7 Catalog No: AG00HZMQ MDL No:MFCD02930945
Product Description
Catalog Number:
AG00HZMQ
Chemical Name:
2-(1H-Imidazol-1-yl)-5-nitrobenzonitrile
CAS Number:
17417-11-7
Molecular Formula:
C10H6N4O2
Molecular Weight:
214.1802
MDL Number:
MFCD02930945
IUPAC Name:
2-imidazol-1-yl-5-nitrobenzonitrile
InChI:
InChI=1S/C10H6N4O2/c11-6-8-5-9(14(15)16)1-2-10(8)13-4-3-12-7-13/h1-5,7H
InChI Key:
WWJXPYOQIWGJIS-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1n1cncc1)[N+](=O)[O-]
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.184g/mol
Monoisotopic Mass:
214.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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