Home Aminos Butanoic acid, 3-amino-4,4,4-trifluoro-, hydrochloride

Butanoic acid, 3-amino-4,4,4-trifluoro-, hydrochloride

CAS No.:
91291-66-6
Catalog Number:
AG00GRVE
Molecular Formula:
C4H7ClF3NO2
Molecular Weight:
193.5521
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Product Description
Catalog Number:
AG00GRVE
Chemical Name:
Butanoic acid, 3-amino-4,4,4-trifluoro-, hydrochloride
CAS Number:
91291-66-6
Molecular Formula:
C4H7ClF3NO2
Molecular Weight:
193.5521
MDL Number:
MFCD00181951
IUPAC Name:
3-amino-4,4,4-trifluorobutanoic acid;hydrochloride
InChI:
InChI=1S/C4H6F3NO2.ClH/c5-4(6,7)2(8)1-3(9)10;/h2H,1,8H2,(H,9,10);1H
InChI Key:
MRMARVCQZOYQPI-UHFFFAOYSA-N
SMILES:
NC(C(F)(F)F)CC(=O)O.Cl
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.012g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
193.55g/mol
Monoisotopic Mass:
193.012g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties