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70961-08-9 | 4-AMINO-5,5,5-TRIFLUOROPENTANOIC ACID
CAS No: 70961-08-9 Catalog No: AG005FK9 MDL No:MFCD09264112
Product Description
Catalog Number:
AG005FK9
Chemical Name:
4-AMINO-5,5,5-TRIFLUOROPENTANOIC ACID
CAS Number:
70961-08-9
Molecular Formula:
C5H8F3NO2
Molecular Weight:
171.1177
MDL Number:
MFCD09264112
IUPAC Name:
4-amino-5,5,5-trifluoropentanoic acid
InChI:
InChI=1S/C5H8F3NO2/c6-5(7,8)3(9)1-2-4(10)11/h3H,1-2,9H2,(H,10,11)
InChI Key:
FMHFLFRQGOQLBU-UHFFFAOYSA-N
SMILES:
NC(C(F)(F)F)CCC(=O)O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.119g/mol
Monoisotopic Mass:
171.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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