200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 38858-90-1
38858-90-1 | 4-Methyl-3-nitro-1H-pyrazole
CAS No: 38858-90-1 Catalog No: AG0037AS MDL No:MFCD09701703
Product Description
Catalog Number:
AG0037AS
Chemical Name:
4-Methyl-3-nitro-1H-pyrazole
CAS Number:
38858-90-1
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
MDL Number:
MFCD09701703
IUPAC Name:
4-methyl-5-nitro-1H-pyrazole
InChI:
InChI=1S/C4H5N3O2/c1-3-2-5-6-4(3)7(8)9/h2H,1H3,(H,5,6)
InChI Key:
AGGNMPUDFUROJT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1n[nH]cc1C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.038g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.103g/mol
Monoisotopic Mass:
127.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.