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1209553-60-5 | 4-(difluoromethoxy)-3-methoxy-2-nitrobenzaldehyde
CAS No: 1209553-60-5 Catalog No: AG019XKY MDL No:MFCD13196205
Product Description
Catalog Number:
AG019XKY
Chemical Name:
4-(difluoromethoxy)-3-methoxy-2-nitrobenzaldehyde
CAS Number:
1209553-60-5
Molecular Formula:
C9H7F2NO5
Molecular Weight:
247.1524
MDL Number:
MFCD13196205
IUPAC Name:
4-(difluoromethoxy)-3-methoxy-2-nitrobenzaldehyde
InChI:
InChI=1S/C9H7F2NO5/c1-16-8-6(17-9(10)11)3-2-5(4-13)7(8)12(14)15/h2-4,9H,1H3
InChI Key:
JTLBNEDECXLTEJ-UHFFFAOYSA-N
SMILES:
COc1c(ccc(c1[N+](=O)[O-])C=O)OC(F)F
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.029g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.154g/mol
Monoisotopic Mass:
247.029g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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