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1217475-54-1 | Benzenemethanamine, 3-chloro-5-fluoro-α-methyl-, (αR)-
CAS No: 1217475-54-1 Catalog No: AG0015Q2 MDL No:MFCD07772683
Product Description
Catalog Number:
AG0015Q2
Chemical Name:
Benzenemethanamine, 3-chloro-5-fluoro-α-methyl-, (αR)-
CAS Number:
1217475-54-1
Molecular Formula:
C8H9ClFN
Molecular Weight:
173.6152
MDL Number:
MFCD07772683
IUPAC Name:
(1R)-1-(3-chloro-5-fluorophenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C8H9ClFN.ClH/c1-5(11)6-2-7(9)4-8(10)3-6;/h2-5H,11H2,1H3;1H/t5-;/m1./s1
InChI Key:
YTFYFLQQTPBAHS-NUBCRITNSA-N
SMILES:
Fc1cc(Cl)cc(c1)[C@H](N)C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
209.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.073g/mol
Monoisotopic Mass:
209.017g/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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