200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1004455-71-3
1004455-71-3 | 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-(2-methylpropyl)-4-nitro-
CAS No: 1004455-71-3 Catalog No: AG0001ZV MDL No:
Product Description
Catalog Number:
AG0001ZV
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-methyl-3-(2-methylpropyl)-4-nitro-
CAS Number:
1004455-71-3
Molecular Formula:
C9H13N3O4
Molecular Weight:
227.2172
IUPAC Name:
2-methyl-5-(2-methylpropyl)-4-nitropyrazole-3-carboxylic acid
InChI:
InChI=1S/C9H13N3O4/c1-5(2)4-6-7(12(15)16)8(9(13)14)11(3)10-6/h5H,4H2,1-3H3,(H,13,14)
InChI Key:
GIYYGHMYUNYGKY-UHFFFAOYSA-N
SMILES:
CC(Cc1nn(c(c1[N+](=O)[O-])C(=O)O)C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.22g/mol
Monoisotopic Mass:
227.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.