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1096827-19-8 | 5-methoxy-2-nitro-4-(2,2,2-trifluoroethoxy)benzaldehyde
CAS No: 1096827-19-8 Catalog No: AG019X53 MDL No:MFCD12665354
Product Description
Catalog Number:
AG019X53
Chemical Name:
5-methoxy-2-nitro-4-(2,2,2-trifluoroethoxy)benzaldehyde
CAS Number:
1096827-19-8
Molecular Formula:
C10H8F3NO5
Molecular Weight:
279.1694
MDL Number:
MFCD12665354
IUPAC Name:
5-methoxy-2-nitro-4-(2,2,2-trifluoroethoxy)benzaldehyde
InChI:
InChI=1S/C10H8F3NO5/c1-18-8-2-6(4-15)7(14(16)17)3-9(8)19-5-10(11,12)13/h2-4H,5H2,1H3
InChI Key:
NNFNWOPVAUSBFD-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(cc1OCC(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.035g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.171g/mol
Monoisotopic Mass:
279.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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