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14121-89-2

14121-89-2 | 2-Furancarboxamide, N-butyl-5-nitro-

CAS No: 14121-89-2 Catalog No: AG001G28 MDL No:

Product Description

Catalog Number:
AG001G28
Chemical Name:
2-Furancarboxamide, N-butyl-5-nitro-
CAS Number:
14121-89-2
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
IUPAC Name:
N-butyl-5-nitrofuran-2-carboxamide
InChI:
InChI=1S/C9H12N2O4/c1-2-3-6-10-9(12)7-4-5-8(15-7)11(13)14/h4-5H,2-3,6H2,1H3,(H,10,12)
InChI Key:
MBVKITLRQRCZFW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)C(=O)NCCCC

Properties

Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.08g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.205g/mol
Monoisotopic Mass:
212.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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