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870703-75-6 | 1-(4-Bromo-2-fluorobenzyl)piperazine
CAS No: 870703-75-6 Catalog No: AG003CY4 MDL No:MFCD07368744
Product Description
Catalog Number:
AG003CY4
Chemical Name:
1-(4-Bromo-2-fluorobenzyl)piperazine
CAS Number:
870703-75-6
Molecular Formula:
C11H14BrFN2
Molecular Weight:
273.1447
MDL Number:
MFCD07368744
IUPAC Name:
1-[(4-bromo-2-fluorophenyl)methyl]piperazine
InChI:
InChI=1S/C11H14BrFN2/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2
InChI Key:
NRCBEINBLSTDHM-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)CN1CCNCC1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.149g/mol
Monoisotopic Mass:
272.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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