N-(Benzyloxy)-2-nitrobenzenesulfonamide - CAS 77925-80-5
Catalog: |
BB036078 |
Product Name: |
N-(Benzyloxy)-2-nitrobenzenesulfonamide |
CAS: |
77925-80-5 |
Synonyms: |
2-nitro-N-phenylmethoxybenzenesulfonamide; 2-nitro-N-phenylmethoxybenzenesulfonamide |
IUPAC Name: | 2-nitro-N-phenylmethoxybenzenesulfonamide |
Description: | N-(Benzyloxy)-2-nitrobenzenesulfonamide (CAS# 77925-80-5) is a useful research chemical. |
Molecular Weight: | 308.31 |
Molecular Formula: | C13H12N2O5S |
Canonical SMILES: | C1=CC=C(C=C1)CONS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] |
InChI: | InChI=1S/C13H12N2O5S/c16-15(17)12-8-4-5-9-13(12)21(18,19)14-20-10-11-6-2-1-3-7-11/h1-9,14H,10H2 |
InChI Key: | HMDOHALMCRHCFZ-UHFFFAOYSA-N |
MDL: | MFCD23135238 |
LogP: | 3.99980 |
Publication Number | Title | Priority Date |
WO-2020059891-A1 | Method for producing amino acid derivatives | 20180921 |
EP-3854786-A1 | Method for producing amino acid derivatives | 20180921 |
JP-WO2020059891-A1 | Amino acid derivative manufacturing method | 20180921 |
AU-2018344100-A1 | Method of preparing 5R-[(benzyloxy) amino] piperidine-2S-carboxylic acid or a derivative thereof | 20171228 |
AU-2018344100-B2 | Method of preparing 5R-[(benzyloxy) amino] piperidine-2S-carboxylic acid or a derivative thereof | 20171228 |
Complexity: | 437 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 308.04669266 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.04669266 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 110 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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