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Home > Nitro Compounds > 1823445-08-4
1823445-08-4 | 4-ethynyl-1-methyl-5-nitro-1H-pyrazole
CAS No: 1823445-08-4 Catalog No: AG01AOZB MDL No:MFCD29034336
Product Description
Catalog Number:
AG01AOZB
Chemical Name:
4-ethynyl-1-methyl-5-nitro-1H-pyrazole
CAS Number:
1823445-08-4
Molecular Formula:
C6H5N3O2
Molecular Weight:
151.1228
MDL Number:
MFCD29034336
IUPAC Name:
4-ethynyl-1-methyl-5-nitropyrazole
InChI:
InChI=1S/C6H5N3O2/c1-3-5-4-7-8(2)6(5)9(10)11/h1,4H,2H3
InChI Key:
HSEHFTBFUCXTEP-UHFFFAOYSA-N
SMILES:
C#Cc1cnn(c1[N+](=O)[O-])C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.125g/mol
Monoisotopic Mass:
151.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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