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1016496-17-5 | Benzenemethanamine, 5-bromo-2-fluoro-N-propyl-
CAS No: 1016496-17-5 Catalog No: AG000516 MDL No:MFCD09927562
Product Description
Catalog Number:
AG000516
Chemical Name:
Benzenemethanamine, 5-bromo-2-fluoro-N-propyl-
CAS Number:
1016496-17-5
Molecular Formula:
C10H13BrFN
Molecular Weight:
246.1193
MDL Number:
MFCD09927562
IUPAC Name:
N-[(5-bromo-2-fluorophenyl)methyl]propan-1-amine
InChI:
InChI=1S/C10H13BrFN/c1-2-5-13-7-8-6-9(11)3-4-10(8)12/h3-4,6,13H,2,5,7H2,1H3
InChI Key:
WFBLDEADLRETSL-UHFFFAOYSA-N
SMILES:
CCCNCc1cc(Br)ccc1F
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.123g/mol
Monoisotopic Mass:
245.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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