Home Nitriles 4-(Boc-amino)-2-fluoro-5-nitrobenzonitrile

4-(Boc-amino)-2-fluoro-5-nitrobenzonitrile

CAS No.:
473537-38-1
Catalog Number:
AG01FLNE
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01FLNE
Chemical Name:
4-(Boc-amino)-2-fluoro-5-nitrobenzonitrile
CAS Number:
473537-38-1
MDL Number:
MFCD31695792
IUPAC Name:
tert-butyl N-(4-cyano-5-fluoro-2-nitrophenyl)carbamate
InChI:
InChI=1S/C12H12FN3O4/c1-12(2,3)20-11(17)15-9-5-8(13)7(6-14)4-10(9)16(18)19/h4-5H,1-3H3,(H,15,17)
InChI Key:
UZERPUAWQOHXES-UHFFFAOYSA-N
Properties
Complexity:
434  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.081g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.243g/mol
Monoisotopic Mass:
281.081g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties