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Home > Nitro Compounds > 1935327-00-6
1935327-00-6 | 1-methyl-4-(2-nitroethyl)-1H-pyrazole
CAS No: 1935327-00-6 Catalog No: AG01AC6J MDL No:MFCD31617672
Product Description
Catalog Number:
AG01AC6J
Chemical Name:
1-methyl-4-(2-nitroethyl)-1H-pyrazole
CAS Number:
1935327-00-6
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD31617672
IUPAC Name:
1-methyl-4-(2-nitroethyl)pyrazole
InChI:
InChI=1S/C6H9N3O2/c1-8-5-6(4-7-8)2-3-9(10)11/h4-5H,2-3H2,1H3
InChI Key:
HCQINFVFCKTSCK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCc1cnn(c1)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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