Home Aminos methyl 2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoate hydrochloride

methyl 2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoate hydrochloride

CAS No.:
1820703-40-9
Catalog Number:
AG01ANAZ
Molecular Formula:
C8H10ClF3N2O2
Molecular Weight:
258.6254
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Product Description
Catalog Number:
AG01ANAZ
Chemical Name:
methyl 2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoate hydrochloride
CAS Number:
1820703-40-9
Molecular Formula:
C8H10ClF3N2O2
Molecular Weight:
258.6254
MDL Number:
MFCD29034205
IUPAC Name:
methyl 2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoate;hydrochloride
InChI:
InChI=1S/C8H9F3N2O2.ClH/c1-15-6(14)7(12,8(9,10)11)5-3-2-4-13-5;/h2-4,13H,12H2,1H3;1H
InChI Key:
SWNAHAUWIIPEBB-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(F)(F)F)(c1ccc[nH]1)N.Cl
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.038g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
258.625g/mol
Monoisotopic Mass:
258.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties