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13652-09-0 | Benzenemethanamine, α-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 13652-09-0 Catalog No: AG0011YL MDL No:MFCD00971700
Product Description
Catalog Number:
AG0011YL
Chemical Name:
Benzenemethanamine, α-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
13652-09-0
Molecular Formula:
C8H9ClF3N
Molecular Weight:
211.6120
MDL Number:
MFCD00971700
IUPAC Name:
2,2,2-trifluoro-1-phenylethanamine;hydrochloride
InChI:
InChI=1S/C8H8F3N.ClH/c9-8(10,11)7(12)6-4-2-1-3-5-6;/h1-5,7H,12H2;1H
InChI Key:
LCQGOISHUDYBOS-UHFFFAOYSA-N
SMILES:
NC(C(F)(F)F)c1ccccc1.Cl
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.612g/mol
Monoisotopic Mass:
211.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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