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262296-39-9 | Butanoic acid, 2-amino-4,4,4-trifluoro-, hydrochloride (1:1)
CAS No: 262296-39-9 Catalog No: AG002SD5 MDL No:MFCD00671488
Product Description
Catalog Number:
AG002SD5
Chemical Name:
Butanoic acid, 2-amino-4,4,4-trifluoro-, hydrochloride (1:1)
CAS Number:
262296-39-9
Molecular Formula:
C4H7ClF3NO2
Molecular Weight:
193.5521
MDL Number:
MFCD00671488
IUPAC Name:
2-amino-4,4,4-trifluorobutanoic acid;hydrochloride
InChI:
InChI=1S/C4H6F3NO2.ClH/c5-4(6,7)1-2(8)3(9)10;/h2H,1,8H2,(H,9,10);1H
InChI Key:
YJTBBIHZBGVKSJ-UHFFFAOYSA-N
SMILES:
NC(C(=O)O)CC(F)(F)F.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
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