Home Other Building Blocks 2-[5-(2-FLUOROBENZOYL)-2-THIENYL]ACETONITRILE

2-[5-(2-FLUOROBENZOYL)-2-THIENYL]ACETONITRILE

CAS No.:
303144-50-5
Catalog Number:
AG00BE2U
Molecular Formula:
C13H8FNOS
Molecular Weight:
245.2721
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Product Description
Catalog Number:
AG00BE2U
Chemical Name:
2-[5-(2-FLUOROBENZOYL)-2-THIENYL]ACETONITRILE
CAS Number:
303144-50-5
Molecular Formula:
C13H8FNOS
Molecular Weight:
245.2721
MDL Number:
MFCD00664551
IUPAC Name:
2-[5-(2-fluorobenzoyl)thiophen-2-yl]acetonitrile
InChI:
InChI=1S/C13H8FNOS/c14-11-4-2-1-3-10(11)13(16)12-6-5-9(17-12)7-8-15/h1-6H,7H2
InChI Key:
RLRKKMNSIAYGNS-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(s1)C(=O)c1ccccc1F
Properties
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.031g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.271g/mol
Monoisotopic Mass:
245.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
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
Properties