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Home > Aldehydes > 101066-57-3
101066-57-3 | Benzaldehyde, 4-nitro-3-(trifluoromethyl)-
CAS No: 101066-57-3 Catalog No: AG0003NM MDL No:MFCD13185770
Product Description
Catalog Number:
AG0003NM
Chemical Name:
Benzaldehyde, 4-nitro-3-(trifluoromethyl)-
CAS Number:
101066-57-3
Molecular Formula:
C8H4F3NO3
Molecular Weight:
219.1175
MDL Number:
MFCD13185770
IUPAC Name:
4-nitro-3-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H4F3NO3/c9-8(10,11)6-3-5(4-13)1-2-7(6)12(14)15/h1-4H
InChI Key:
QLLHNXOKFCMSQR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.014g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.119g/mol
Monoisotopic Mass:
219.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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