200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 851528-03-5
851528-03-5 | 3-(4-methylpiperazin-1-yl)-5-nitrobenzoic acid
CAS No: 851528-03-5 Catalog No: AG01DD3P MDL No:MFCD30179626
Product Description
Catalog Number:
AG01DD3P
Chemical Name:
3-(4-methylpiperazin-1-yl)-5-nitrobenzoic acid
CAS Number:
851528-03-5
Molecular Formula:
C12H15N3O4
Molecular Weight:
265.2652
MDL Number:
MFCD30179626
IUPAC Name:
3-(4-methylpiperazin-1-yl)-5-nitrobenzoic acid
InChI:
InChI=1S/C12H15N3O4/c1-13-2-4-14(5-3-13)10-6-9(12(16)17)7-11(8-10)15(18)19/h6-8H,2-5H2,1H3,(H,16,17)
InChI Key:
BHKSBPCQFNMIGJ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.269g/mol
Monoisotopic Mass:
265.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.