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Home > Nitro Compounds > 1005639-80-4
1005639-80-4 | 1-ETHYL-4-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]-1H-PYRAZOLE
CAS No: 1005639-80-4 Catalog No: AG01ANWD MDL No:MFCD04969827
Product Description
Catalog Number:
AG01ANWD
Chemical Name:
1-ETHYL-4-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]-1H-PYRAZOLE
CAS Number:
1005639-80-4
Molecular Formula:
C9H11N5O2
Molecular Weight:
221.2159
MDL Number:
MFCD04969827
IUPAC Name:
1-ethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole
InChI:
InChI=1S/C9H11N5O2/c1-2-12-5-8(3-10-12)6-13-7-9(4-11-13)14(15)16/h3-5,7H,2,6H2,1H3
InChI Key:
ZEKYTKFYEAHHPH-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1)Cn1ncc(c1)[N+](=O)[O-]
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.22g/mol
Monoisotopic Mass:
221.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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