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Home > Aldehydes > 918900-51-3
918900-51-3 | Benzaldehyde, 2-fluoro-5-nitro-3-(trifluoromethyl)-
CAS No: 918900-51-3 Catalog No: AG006ADA MDL No:
Product Description
Catalog Number:
AG006ADA
Chemical Name:
Benzaldehyde, 2-fluoro-5-nitro-3-(trifluoromethyl)-
CAS Number:
918900-51-3
Molecular Formula:
C8H3F4NO3
Molecular Weight:
237.1079
IUPAC Name:
2-fluoro-5-nitro-3-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H3F4NO3/c9-7-4(3-14)1-5(13(15)16)2-6(7)8(10,11)12/h1-3H
InChI Key:
CVJUFSOXLQRJDA-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1F)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.11g/mol
Monoisotopic Mass:
237.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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