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Home > Fluorides > 182181-38-0
182181-38-0 | Benzonitrile, 3-fluoro-4-(1-piperazinyl)-
CAS No: 182181-38-0 Catalog No: AG0023GR MDL No:MFCD03043990
Product Description
Catalog Number:
AG0023GR
Chemical Name:
Benzonitrile, 3-fluoro-4-(1-piperazinyl)-
CAS Number:
182181-38-0
Molecular Formula:
C11H12FN3
Molecular Weight:
205.2315
MDL Number:
MFCD03043990
IUPAC Name:
3-fluoro-4-piperazin-1-ylbenzonitrile
InChI:
InChI=1S/C11H12FN3/c12-10-7-9(8-13)1-2-11(10)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2
InChI Key:
VMOBEAUQUPPPON-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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