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Home > Fluorides > 1233026-65-7
1233026-65-7 | Benzonitrile, 3-fluoro-2-(1-piperazinyl)-
CAS No: 1233026-65-7 Catalog No: AG000KAM MDL No:MFCD17214283
Product Description
Catalog Number:
AG000KAM
Chemical Name:
Benzonitrile, 3-fluoro-2-(1-piperazinyl)-
CAS Number:
1233026-65-7
Molecular Formula:
C11H12FN3
Molecular Weight:
205.2315
MDL Number:
MFCD17214283
IUPAC Name:
3-fluoro-2-piperazin-1-ylbenzonitrile
InChI:
InChI=1S/C11H12FN3/c12-10-3-1-2-9(8-13)11(10)15-6-4-14-5-7-15/h1-3,14H,4-7H2
InChI Key:
BSCQTNZKNNTAGP-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1N1CCNCC1)F
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.102g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.236g/mol
Monoisotopic Mass:
205.102g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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