200,000+ products from a single source!
sales@angenechem.com
115416-53-0 | Benzenepropanol, β-[(5-nitro-2-pyridinyl)amino]-, (βS)-
CAS No: 115416-53-0 Catalog No: AG000FZ5 MDL No:MFCD00145288
Product Description
Catalog Number:
AG000FZ5
Chemical Name:
Benzenepropanol, β-[(5-nitro-2-pyridinyl)amino]-, (βS)-
CAS Number:
115416-53-0
Molecular Formula:
C14H15N3O3
Molecular Weight:
273.2872
MDL Number:
MFCD00145288
IUPAC Name:
(2S)-2-[(5-nitropyridin-2-yl)amino]-3-phenylpropan-1-ol
InChI:
InChI=1S/C14H15N3O3/c18-10-12(8-11-4-2-1-3-5-11)16-14-7-6-13(9-15-14)17(19)20/h1-7,9,12,18H,8,10H2,(H,15,16)/t12-/m0/s1
InChI Key:
XQQHMEFZBTXUTC-LBPRGKRZSA-N
SMILES:
OC[C@@H](Nc1ccc(cn1)[N+](=O)[O-])Cc1ccccc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
273.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.292g/mol
Monoisotopic Mass:
273.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.