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6961-57-5 | 3-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde
CAS No: 6961-57-5 Catalog No: AG0069VJ MDL No:MFCD02614893
Product Description
Catalog Number:
AG0069VJ
Chemical Name:
3-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde
CAS Number:
6961-57-5
Molecular Formula:
C14H8F3NO4
Molecular Weight:
311.2128
MDL Number:
MFCD02614893
IUPAC Name:
3-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde
InChI:
InChI=1S/C14H8F3NO4/c15-14(16,17)10-4-5-13(12(7-10)18(20)21)22-11-3-1-2-9(6-11)8-19/h1-8H
InChI Key:
ATRVIOQTDTZEET-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F
NSC Number:
63335
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.041g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.216g/mol
Monoisotopic Mass:
311.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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