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204192-45-0 | Benzonitrile, 2-fluoro-4-(1-piperazinyl)-
CAS No: 204192-45-0 Catalog No: AG0029BU MDL No:
Product Description
Catalog Number:
AG0029BU
Chemical Name:
Benzonitrile, 2-fluoro-4-(1-piperazinyl)-
CAS Number:
204192-45-0
Molecular Formula:
C11H12FN3
Molecular Weight:
205.2315
IUPAC Name:
2-fluoro-4-piperazin-1-ylbenzonitrile
InChI:
InChI=1S/C11H12FN3/c12-11-7-10(2-1-9(11)8-13)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2
InChI Key:
GDWPXCGQYKBZHW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1F)N1CCNCC1
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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