200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 104554-65-6
104554-65-6 | 1-(5-nitrothiophene-2-carbonyl)piperazine
CAS No: 104554-65-6 Catalog No: AG01A77Q MDL No:MFCD08443053
Product Description
Catalog Number:
AG01A77Q
Chemical Name:
1-(5-nitrothiophene-2-carbonyl)piperazine
CAS Number:
104554-65-6
Molecular Formula:
C9H11N3O3S
Molecular Weight:
241.2669
MDL Number:
MFCD08443053
IUPAC Name:
(5-nitrothiophen-2-yl)-piperazin-1-ylmethanone
InChI:
InChI=1S/C9H11N3O3S/c13-9(11-5-3-10-4-6-11)7-1-2-8(16-7)12(14)15/h1-2,10H,3-6H2
InChI Key:
UMXPZCMMEGXOTC-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(s1)[N+](=O)[O-])N1CCNCC1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.265g/mol
Monoisotopic Mass:
241.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.