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Home > Nitro Compounds > 17417-12-8
17417-12-8 | 5-Nitro-2-(pyrazol-1-yl)benzonitrile
CAS No: 17417-12-8 Catalog No: AG00HZMR MDL No:MFCD15201525
Product Description
Catalog Number:
AG00HZMR
Chemical Name:
5-Nitro-2-(pyrazol-1-yl)benzonitrile
CAS Number:
17417-12-8
Molecular Formula:
C10H6N4O2
Molecular Weight:
214.1802
MDL Number:
MFCD15201525
IUPAC Name:
5-nitro-2-pyrazol-1-ylbenzonitrile
InChI:
InChI=1S/C10H6N4O2/c11-7-8-6-9(14(15)16)2-3-10(8)13-5-1-4-12-13/h1-6H
InChI Key:
WEXDLUQSKVCVHE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1n1cccn1)[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:
1.4
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