200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1000018-43-8
1000018-43-8 | 5-(4-methylpiperidin-1-yl)-2-nitrobenzoic acid
CAS No: 1000018-43-8 Catalog No: AG00W380 MDL No:MFCD09743726
Product Description
Catalog Number:
AG00W380
Chemical Name:
5-(4-methylpiperidin-1-yl)-2-nitrobenzoic acid
CAS Number:
1000018-43-8
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
MDL Number:
MFCD09743726
IUPAC Name:
5-(4-methylpiperidin-1-yl)-2-nitrobenzoic acid
InChI:
InChI=1S/C13H16N2O4/c1-9-4-6-14(7-5-9)10-2-3-12(15(18)19)11(8-10)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)
InChI Key:
ODABWBXUJQQXPO-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)c1ccc(c(c1)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.281g/mol
Monoisotopic Mass:
264.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.