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153659-43-9

153659-43-9 | 3-FLUORO-4-PYRROLIDIN-1-YL-BENZALDEHYDE

CAS No: 153659-43-9 Catalog No: AG00APRD MDL No:MFCD05237677

Product Description

Catalog Number:
AG00APRD
Chemical Name:
3-FLUORO-4-PYRROLIDIN-1-YL-BENZALDEHYDE
CAS Number:
153659-43-9
Molecular Formula:
C11H12FNO
Molecular Weight:
193.2175
MDL Number:
MFCD05237677
IUPAC Name:
3-fluoro-4-pyrrolidin-1-ylbenzaldehyde
InChI:
InChI=1S/C11H12FNO/c12-10-7-9(8-14)3-4-11(10)13-5-1-2-6-13/h3-4,7-8H,1-2,5-6H2
InChI Key:
DAPLSJXIJFYSAC-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)F)N1CCCC1

Properties

Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.221g/mol
Monoisotopic Mass:
193.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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

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