200,000+ products from a single source!
sales@angenechem.com
16459-33-9 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2-nitrophenyl)-, ethyl ester
CAS No: 16459-33-9 Catalog No: AG001UYN MDL No:MFCD07388503
Product Description
Catalog Number:
AG001UYN
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2-nitrophenyl)-, ethyl ester
CAS Number:
16459-33-9
Molecular Formula:
C12H12N4O4
Molecular Weight:
276.2481
MDL Number:
MFCD07388503
IUPAC Name:
ethyl 5-amino-1-(2-nitrophenyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C12H12N4O4/c1-2-20-12(17)8-7-14-15(11(8)13)9-5-3-4-6-10(9)16(18)19/h3-7H,2,13H2,1H3
InChI Key:
QZENFUUIIWCQAT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1N)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.086g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.252g/mol
Monoisotopic Mass:
276.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.