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(4,4,4-trifluoro-2-nitrobut-2-en-1-yl)benzene

CAS No.:
1344842-98-3
Catalog Number:
AG01A3E0
Molecular Formula:
C10H8F3NO2
Molecular Weight:
231.1712
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Product Description
Catalog Number:
AG01A3E0
Chemical Name:
(4,4,4-trifluoro-2-nitrobut-2-en-1-yl)benzene
CAS Number:
1344842-98-3
Molecular Formula:
C10H8F3NO2
Molecular Weight:
231.1712
MDL Number:
MFCD16858377
IUPAC Name:
(4,4,4-trifluoro-2-nitrobut-2-enyl)benzene
InChI:
InChI=1S/C10H8F3NO2/c11-10(12,13)7-9(14(15)16)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChI Key:
FAJNVDOPPGHBBH-UHFFFAOYSA-N
SMILES:
FC(C=C([N+](=O)[O-])Cc1ccccc1)(F)F
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.174g/mol
Monoisotopic Mass:
231.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.4  
Properties