200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1004644-28-3
1004644-28-3 | 1,3-DIMETHYL-4-(4-NITRO-PYRAZOL-1-YLMETHYL)-1H-PYRAZOLE
CAS No: 1004644-28-3 Catalog No: AG01ANZX MDL No:MFCD04971171
Product Description
Catalog Number:
AG01ANZX
Chemical Name:
1,3-DIMETHYL-4-(4-NITRO-PYRAZOL-1-YLMETHYL)-1H-PYRAZOLE
CAS Number:
1004644-28-3
Molecular Formula:
C9H11N5O2
Molecular Weight:
221.2159
MDL Number:
MFCD04971171
IUPAC Name:
1,3-dimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole
InChI:
InChI=1S/C9H11N5O2/c1-7-8(4-12(2)11-7)5-13-6-9(3-10-13)14(15)16/h3-4,6H,5H2,1-2H3
InChI Key:
SZVPQPVDXMVZEB-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)Cn1ncc(c1)[N+](=O)[O-])C
Properties
Complexity:
269
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:
2
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.