(S)-2-Amino-3-(4-nitrophenyl)propanoic acid hydrochloride - CAS 906813-62-5
Catalog: |
BB074651 |
Product Name: |
(S)-2-Amino-3-(4-nitrophenyl)propanoic acid hydrochloride |
CAS: |
906813-62-5 |
Synonyms: |
(S)-2-Amino-3-(4-nitrophenyl)propanoic acid hydrochloride; (2S)-2-amino-3-(4-nitrophenyl)propanoic acid; hydrochloride; (S)-2-Amino-3-(4-nitrophenyl)propanoicacidhydrochloride |
IUPAC Name: | (2S)-2-amino-3-(4-nitrophenyl)propanoic acidhydrochloride |
Description: | (S)-2-Amino-3-(4-nitrophenyl)propanoic acid hydrochloride |
Molecular Weight: | 246.65 |
Molecular Formula: | C9H11ClN2O4 |
Canonical SMILES: | C1=CC(=CC=C1CC(C(=O)O)N)[N+](=O)[O-].Cl |
InChI: | InChI=1S/C9H10N2O4.ClH/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)1H/t8-/m0./s1 |
InChI Key: | XNPWOQZTJFYSEI-QRPNPIFTSA-N |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.0407345 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.0407345 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 109Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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