Home Other Building Blocks 2,2-DIFLUORO-1-(3-NITROPHENYL)ETHAN-1-ONE

2,2-DIFLUORO-1-(3-NITROPHENYL)ETHAN-1-ONE

CAS No.:
657-17-0
Catalog Number:
AG01BYBS
Molecular Formula:
C8H5F2NO3
Molecular Weight:
201.1270
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Product Description
Catalog Number:
AG01BYBS
Chemical Name:
2,2-DIFLUORO-1-(3-NITROPHENYL)ETHAN-1-ONE
CAS Number:
657-17-0
Molecular Formula:
C8H5F2NO3
Molecular Weight:
201.1270
MDL Number:
MFCD16618111
IUPAC Name:
2,2-difluoro-1-(3-nitrophenyl)ethanone
InChI:
InChI=1S/C8H5F2NO3/c9-8(10)7(12)5-2-1-3-6(4-5)11(13)14/h1-4,8H
InChI Key:
UPTVURGJGGNSAF-UHFFFAOYSA-N
SMILES:
FC(C(=O)c1cccc(c1)[N+](=O)[O-])F
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.024g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.129g/mol
Monoisotopic Mass:
201.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties