200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 183622-35-7
183622-35-7 | Benzoic acid, 2-nitro-5-(1-piperazinyl)-
CAS No: 183622-35-7 Catalog No: AG0027SD MDL No:MFCD09991733
Product Description
Catalog Number:
AG0027SD
Chemical Name:
Benzoic acid, 2-nitro-5-(1-piperazinyl)-
CAS Number:
183622-35-7
Molecular Formula:
C11H13N3O4
Molecular Weight:
251.2386
MDL Number:
MFCD09991733
IUPAC Name:
2-nitro-5-piperazin-1-ylbenzoic acid
InChI:
InChI=1S/C11H13N3O4/c15-11(16)9-7-8(1-2-10(9)14(17)18)13-5-3-12-4-6-13/h1-2,7,12H,3-6H2,(H,15,16)
InChI Key:
BTBYYNWGQJULDK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1[N+](=O)[O-])N1CCNCC1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.242g/mol
Monoisotopic Mass:
251.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.