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827328-91-6 | N-Cyclopentyl 2-bromo-6-fluorobenzylamine
CAS No: 827328-91-6 Catalog No: AG004ZQ2 MDL No:MFCD21333050
Product Description
Catalog Number:
AG004ZQ2
Chemical Name:
N-Cyclopentyl 2-bromo-6-fluorobenzylamine
CAS Number:
827328-91-6
Molecular Formula:
C12H15BrFN
Molecular Weight:
272.1566
MDL Number:
MFCD21333050
IUPAC Name:
N-[(2-bromo-6-fluorophenyl)methyl]cyclopentanamine
InChI:
InChI=1S/C12H15BrFN/c13-11-6-3-7-12(14)10(11)8-15-9-4-1-2-5-9/h3,6-7,9,15H,1-2,4-5,8H2
InChI Key:
OTAMSXHRNBWMKN-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1CNC1CCCC1)Br
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.037g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.161g/mol
Monoisotopic Mass:
271.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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