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1016718-58-3 | Benzenemethanamine, 5-bromo-N-ethyl-2-fluoro-
CAS No: 1016718-58-3 Catalog No: AG000559 MDL No:MFCD09809668
Product Description
Catalog Number:
AG000559
Chemical Name:
Benzenemethanamine, 5-bromo-N-ethyl-2-fluoro-
CAS Number:
1016718-58-3
Molecular Formula:
C9H11BrFN
Molecular Weight:
232.0927
MDL Number:
MFCD09809668
IUPAC Name:
N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
InChI:
InChI=1S/C9H11BrFN/c1-2-12-6-7-5-8(10)3-4-9(7)11/h3-5,12H,2,6H2,1H3
InChI Key:
UBUGKRWECJFDHP-UHFFFAOYSA-N
SMILES:
CCNCc1cc(Br)ccc1F
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.006g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.096g/mol
Monoisotopic Mass:
231.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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