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1217445-43-6 | Benzenemethanamine, α-ethyl-2,4-difluoro-, (αS)-
CAS No: 1217445-43-6 Catalog No: AG0015NY MDL No:
Product Description
Catalog Number:
AG0015NY
Chemical Name:
Benzenemethanamine, α-ethyl-2,4-difluoro-, (αS)-
CAS Number:
1217445-43-6
Molecular Formula:
C9H11F2N
Molecular Weight:
171.1871
IUPAC Name:
(1S)-1-(2,4-difluorophenyl)propan-1-amine;hydrochloride
InChI:
InChI=1S/C9H11F2N.ClH/c1-2-9(12)7-4-3-6(10)5-8(7)11;/h3-5,9H,2,12H2,1H3;1H/t9-;/m0./s1
InChI Key:
YXYGIKPAUSGSLO-FVGYRXGTSA-N
SMILES:
CC[C@@H](c1ccc(cc1F)F)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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