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1217468-99-9 | Benzenemethanamine, α-ethyl-2,5-difluoro-, (αR)-
CAS No: 1217468-99-9 Catalog No: AG0015QB MDL No:
Product Description
Catalog Number:
AG0015QB
Chemical Name:
Benzenemethanamine, α-ethyl-2,5-difluoro-, (αR)-
CAS Number:
1217468-99-9
Molecular Formula:
C9H11F2N
Molecular Weight:
171.1871
IUPAC Name:
(1R)-1-(2,5-difluorophenyl)propan-1-amine;hydrochloride
InChI:
InChI=1S/C9H11F2N.ClH/c1-2-9(12)7-5-6(10)3-4-8(7)11;/h3-5,9H,2,12H2,1H3;1H/t9-;/m1./s1
InChI Key:
RXYPROYXZWFRHT-SBSPUUFOSA-N
SMILES:
CC[C@H](c1cc(F)ccc1F)N
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
207.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.649g/mol
Monoisotopic Mass:
207.063g/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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