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76141-89-4 | 1-(4-Fluorobenzyl)-1,4-diazepane
CAS No: 76141-89-4 Catalog No: AG003CZE MDL No:MFCD00816588
Product Description
Catalog Number:
AG003CZE
Chemical Name:
1-(4-Fluorobenzyl)-1,4-diazepane
CAS Number:
76141-89-4
Molecular Formula:
C12H17FN2
Molecular Weight:
208.2752
MDL Number:
MFCD00816588
IUPAC Name:
1-[(4-fluorophenyl)methyl]-1,4-diazepane
InChI:
InChI=1S/C12H17FN2/c13-12-4-2-11(3-5-12)10-15-8-1-6-14-7-9-15/h2-5,14H,1,6-10H2
InChI Key:
KZCHYFUMQQWGJK-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CN1CCNCCC1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.138g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.28g/mol
Monoisotopic Mass:
208.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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