Home Aminos 2-amino-3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid hydrochloride

2-amino-3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid hydrochloride

CAS No.:
1461705-68-9
Catalog Number:
AG01A66O
Molecular Formula:
C7H9ClF3N3O2
Molecular Weight:
259.6135
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Product Description
Catalog Number:
AG01A66O
Chemical Name:
2-amino-3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid hydrochloride
CAS Number:
1461705-68-9
Molecular Formula:
C7H9ClF3N3O2
Molecular Weight:
259.6135
MDL Number:
MFCD25371730
IUPAC Name:
2-amino-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid;hydrochloride
InChI:
InChI=1S/C7H8F3N3O2.ClH/c8-7(9,10)5-1-2-13(12-5)3-4(11)6(14)15;/h1-2,4H,3,11H2,(H,14,15);1H
InChI Key:
JQUFDLFWDRCUER-UHFFFAOYSA-N
SMILES:
NC(C(=O)O)Cn1ccc(n1)C(F)(F)F.Cl
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.034g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
259.613g/mol
Monoisotopic Mass:
259.034g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties