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Home > Aldehydes > 119969-36-7
119969-36-7 | 2-Furancarboxaldehyde, 5-[2-nitro-4-(trifluoromethyl)phenyl]-
CAS No: 119969-36-7 Catalog No: AG000PWW MDL No:
Product Description
Catalog Number:
AG000PWW
Chemical Name:
2-Furancarboxaldehyde, 5-[2-nitro-4-(trifluoromethyl)phenyl]-
CAS Number:
119969-36-7
Molecular Formula:
C12H6F3NO4
Molecular Weight:
285.1755
IUPAC Name:
5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-carbaldehyde
InChI:
InChI=1S/C12H6F3NO4/c13-12(14,15)7-1-3-9(10(5-7)16(18)19)11-4-2-8(6-17)20-11/h1-6H
InChI Key:
WZULJQXUHQQWTM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.025g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.178g/mol
Monoisotopic Mass:
285.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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