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1391528-41-8 | Benzenemethanamine, α-ethenyl-4-(trifluoromethyl)-, hydrochloride (1:1), (αS)-
CAS No: 1391528-41-8 Catalog No: AG001AF4 MDL No:MFCD12068559
Product Description
Catalog Number:
AG001AF4
Chemical Name:
Benzenemethanamine, α-ethenyl-4-(trifluoromethyl)-, hydrochloride (1:1), (αS)-
CAS Number:
1391528-41-8
Molecular Formula:
C10H11ClF3N
Molecular Weight:
237.6492
MDL Number:
MFCD12068559
IUPAC Name:
(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
InChI:
InChI=1S/C10H10F3N.ClH/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13;/h2-6,9H,1,14H2;1H/t9-;/m0./s1
InChI Key:
LIXYGVSHBCXOGR-FVGYRXGTSA-N
SMILES:
C=C[C@@H](c1ccc(cc1)C(F)(F)F)N.Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
237.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.65g/mol
Monoisotopic Mass:
237.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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