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1810074-87-3 | Benzenemethanamine, 3-chloro-α-methyl-4-(trifluoromethyl)-, hydrochloride (1:1), (αR)-
CAS No: 1810074-87-3 Catalog No: AG0022LE MDL No:MFCD24419924
Product Description
Catalog Number:
AG0022LE
Chemical Name:
Benzenemethanamine, 3-chloro-α-methyl-4-(trifluoromethyl)-, hydrochloride (1:1), (αR)-
CAS Number:
1810074-87-3
Molecular Formula:
C9H10Cl2F3N
Molecular Weight:
260.0836
MDL Number:
MFCD24419924
IUPAC Name:
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
InChI:
InChI=1S/C9H9ClF3N.ClH/c1-5(14)6-2-3-7(8(10)4-6)9(11,12)13;/h2-5H,14H2,1H3;1H/t5-;/m1./s1
InChI Key:
MKLIPTAHHVPGMI-NUBCRITNSA-N
SMILES:
C[C@H](c1ccc(c(c1)Cl)C(F)(F)F)N.Cl
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
259.014g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.081g/mol
Monoisotopic Mass:
259.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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