(aS)-a-Amino-4-nitrobenzenepropanamide - CAS 81677-61-4
Catalog: |
BB074549 |
Product Name: |
(aS)-a-Amino-4-nitrobenzenepropanamide |
CAS: |
81677-61-4 |
Synonyms: |
(S)-α-Amino-4-nitrobenzenepropanamide; (S)-p-Nitrophenylalanine Amide |
IUPAC Name: | (2S)-2-amino-3-(4-nitrophenyl)propanamide |
Description: | (aS)-a-Amino-4-nitrobenzenepropanamide (cas# 81677-61-4) is a compound useful in organic synthesis. |
Molecular Weight: | 209.2 |
Molecular Formula: | C9H11N3O3 |
Canonical SMILES: | C1=CC(=CC=C1CC(C(=O)N)N)[N+](=O)[O-] |
InChI: | InChI=1S/C9H11N3O3/c10-8(9(11)13)5-6-1-3-7(4-2-6)12(14)15/h1-4,8H,5,10H2,(H2,11,13)/t8-/m0/s1 |
InChI Key: | GZVVTACFGLQAFF-QMMMGPOBSA-N |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.08004122 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.08004122 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 115Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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