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1287218-19-2 | Benzenemethanamine, 3-bromo-2-fluoro-N-methyl-
CAS No: 1287218-19-2 Catalog No: AG000YC2 MDL No:MFCD18089186
Product Description
Catalog Number:
AG000YC2
Chemical Name:
Benzenemethanamine, 3-bromo-2-fluoro-N-methyl-
CAS Number:
1287218-19-2
Molecular Formula:
C8H9BrFN
Molecular Weight:
218.0662
MDL Number:
MFCD18089186
IUPAC Name:
1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
InChI:
InChI=1S/C8H9BrFN/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,11H,5H2,1H3
InChI Key:
IZQODLGNZJGXKF-UHFFFAOYSA-N
SMILES:
CNCc1cccc(c1F)Br
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.99g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.069g/mol
Monoisotopic Mass:
216.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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