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1311254-85-9 | Benzenemethanamine, 4-bromo-2-fluoro-α-methyl-, hydrochloride (1:1), (αS)-
CAS No: 1311254-85-9 Catalog No: AG000VKQ MDL No:MFCD19382355
Product Description
Catalog Number:
AG000VKQ
Chemical Name:
Benzenemethanamine, 4-bromo-2-fluoro-α-methyl-, hydrochloride (1:1), (αS)-
CAS Number:
1311254-85-9
Molecular Formula:
C8H10BrClFN
Molecular Weight:
254.5271
MDL Number:
MFCD19382355
IUPAC Name:
(1S)-1-(4-bromo-2-fluorophenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C8H9BrFN.ClH/c1-5(11)7-3-2-6(9)4-8(7)10;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
InChI Key:
KCVHOOLJEWKAGY-JEDNCBNOSA-N
SMILES:
Brc1ccc(c(c1)F)[C@@H](N)C.Cl
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
252.967g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.527g/mol
Monoisotopic Mass:
252.967g/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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