Home Aminos methyl 2-amino-4,4,4-trifluorobutanoate hydrochloride

methyl 2-amino-4,4,4-trifluorobutanoate hydrochloride

CAS No.:
1007583-54-1
Catalog Number:
AG01AC4A
Molecular Formula:
C5H9ClF3NO2
Molecular Weight:
207.5787
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Product Description
Catalog Number:
AG01AC4A
Chemical Name:
methyl 2-amino-4,4,4-trifluorobutanoate hydrochloride
CAS Number:
1007583-54-1
Molecular Formula:
C5H9ClF3NO2
Molecular Weight:
207.5787
MDL Number:
MFCD08532483
IUPAC Name:
methyl 2-amino-4,4,4-trifluorobutanoate;hydrochloride
InChI:
InChI=1S/C5H8F3NO2.ClH/c1-11-4(10)3(9)2-5(6,7)8;/h3H,2,9H2,1H3;1H
InChI Key:
LGGNXCVKSJMQRV-UHFFFAOYSA-N
SMILES:
COC(=O)C(CC(F)(F)F)N.Cl
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.027g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.577g/mol
Monoisotopic Mass:
207.027g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties