200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1228552-57-5
1228552-57-5 | 1-[2-nitro-4-(1H-pyrazol-3-yl)phenyl]-1H-pyrazole
CAS No: 1228552-57-5 Catalog No: AG018WNY MDL No:MFCD16618424
Product Description
Catalog Number:
AG018WNY
Chemical Name:
1-[2-nitro-4-(1H-pyrazol-3-yl)phenyl]-1H-pyrazole
CAS Number:
1228552-57-5
Molecular Formula:
C12H9N5O2
Molecular Weight:
255.2322
MDL Number:
MFCD16618424
IUPAC Name:
1-[2-nitro-4-(1H-pyrazol-5-yl)phenyl]pyrazole
InChI:
InChI=1S/C12H9N5O2/c18-17(19)12-8-9(10-4-6-13-15-10)2-3-11(12)16-7-1-5-14-16/h1-8H,(H,13,15)
InChI Key:
DDATYQDNDNZJLS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1n1cccn1)c1cc[nH]n1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.076g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.237g/mol
Monoisotopic Mass:
255.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.