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102844-90-6 | 3-NITRO-4-(TRIFLUOROMETHYL)BENZALDEHYDE&
CAS No: 102844-90-6 Catalog No: AG009SAD MDL No:MFCD05664203
Product Description
Catalog Number:
AG009SAD
Chemical Name:
3-NITRO-4-(TRIFLUOROMETHYL)BENZALDEHYDE&
CAS Number:
102844-90-6
Molecular Formula:
C8H4F3NO3
Molecular Weight:
219.1175
MDL Number:
MFCD05664203
IUPAC Name:
3-nitro-4-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H4F3NO3/c9-8(10,11)6-2-1-5(4-13)3-7(6)12(14)15/h1-4H
InChI Key:
YWJKCPJLZJWAGV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])C(F)(F)F
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:
2.1
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