200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1855890-12-8
1855890-12-8 | ethyl 4-(4-carbamoyl-3-nitro-1H-pyrazol-1-yl)butanoate
CAS No: 1855890-12-8 Catalog No: AG01AOX2 MDL No:MFCD28969805
Product Description
Catalog Number:
AG01AOX2
Chemical Name:
ethyl 4-(4-carbamoyl-3-nitro-1H-pyrazol-1-yl)butanoate
CAS Number:
1855890-12-8
Molecular Formula:
C10H14N4O5
Molecular Weight:
270.2420
MDL Number:
MFCD28969805
IUPAC Name:
ethyl 4-(4-carbamoyl-3-nitropyrazol-1-yl)butanoate
InChI:
InChI=1S/C10H14N4O5/c1-2-19-8(15)4-3-5-13-6-7(9(11)16)10(12-13)14(17)18/h6H,2-5H2,1H3,(H2,11,16)
InChI Key:
KRSXSTKAYZKXTA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCn1cc(c(n1)[N+](=O)[O-])C(=O)N
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.245g/mol
Monoisotopic Mass:
270.096g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.