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60160-68-1 | Benzonitrile, 2-hydrazino-5-nitro-
CAS No: 60160-68-1 Catalog No: AG01DO9U MDL No:MFCD13195620
Product Description
Catalog Number:
AG01DO9U
Chemical Name:
Benzonitrile, 2-hydrazino-5-nitro-
CAS Number:
60160-68-1
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
MDL Number:
MFCD13195620
IUPAC Name:
2-hydrazinyl-5-nitrobenzonitrile
InChI:
InChI=1S/C7H6N4O2/c8-4-5-3-6(11(12)13)1-2-7(5)10-9/h1-3,10H,9H2
InChI Key:
XEJPKACEMFWECC-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1NN)[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.151g/mol
Monoisotopic Mass:
178.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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