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Home > Nitro Compounds > 88095-61-8
88095-61-8 | 1-Benzyl-4-nitro-1H-pyrazole
CAS No: 88095-61-8 Catalog No: AG004GVK MDL No:MFCD03087886
Product Description
Catalog Number:
AG004GVK
Chemical Name:
1-Benzyl-4-nitro-1H-pyrazole
CAS Number:
88095-61-8
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD03087886
IUPAC Name:
1-benzyl-4-nitropyrazole
InChI:
InChI=1S/C10H9N3O2/c14-13(15)10-6-11-12(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChI Key:
IYZHZCMFLIKMSN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1)Cc1ccccc1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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