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Home > Fluorides > 1159826-26-2
1159826-26-2 | DL- -(4-Trifluoromethylphenyl)alaninol hydrochloride
CAS No: 1159826-26-2 Catalog No: AG01F8EM MDL No:
Product Description
Catalog Number:
AG01F8EM
Chemical Name:
DL- -(4-Trifluoromethylphenyl)alaninol hydrochloride
CAS Number:
1159826-26-2
Molecular Formula:
C10H13ClF3NO
Molecular Weight:
255.6645
IUPAC Name:
3-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
InChI:
InChI=1S/C10H12F3NO.ClH/c11-10(12,13)8-3-1-7(2-4-8)9(14)5-6-15;/h1-4,9,15H,5-6,14H2;1H
InChI Key:
BXLGDDWHTFFTEZ-UHFFFAOYSA-N
SMILES:
OCCC(c1ccc(cc1)C(F)(F)F)N.Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.665g/mol
Monoisotopic Mass:
255.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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