2-Amino-3-(4-chloro-1-methyl-1H-pyrazol-3-yl)propanoic acid hydrochloride - CAS 1432026-01-1
Catalog: |
BB052595 |
Product Name: |
2-Amino-3-(4-chloro-1-methyl-1H-pyrazol-3-yl)propanoic acid hydrochloride |
CAS: |
1432026-01-1 |
Synonyms: |
2-amino-3-(4-chloro-1-methyl-1H-pyrazol-3-yl)propanoicacidhydrochloride |
IUPAC Name: | 2-amino-3-(4-chloro-1-methylpyrazol-3-yl)propanoic acid;hydrochloride |
Molecular Weight: | 240.08 |
Molecular Formula: | C7H11Cl2N3O2 |
Canonical SMILES: | CN1C=C(C(=N1)CC(C(=O)O)N)Cl.Cl |
InChI: | InChI=1S/C7H10ClN3O2.ClH/c1-11-3-4(8)6(10-11)2-5(9)7(12)13;/h3,5H,2,9H2,1H3,(H,12,13);1H |
InChI Key: | NONNXTRNMRQAHN-UHFFFAOYSA-N |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.022832 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.022832 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 81.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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