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80175-36-6 | Benzaldehyde, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-
CAS No: 80175-36-6 Catalog No: AG005O26 MDL No:
Product Description
Catalog Number:
AG005O26
Chemical Name:
Benzaldehyde, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-
CAS Number:
80175-36-6
Molecular Formula:
C14H7ClF3NO4
Molecular Weight:
345.6579
IUPAC Name:
5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzaldehyde
InChI:
InChI=1S/C14H7ClF3NO4/c15-11-6-9(14(16,17)18)1-4-13(11)23-10-2-3-12(19(21)22)8(5-10)7-20/h1-7H
InChI Key:
POMNVINGVNYHMO-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.002g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.658g/mol
Monoisotopic Mass:
345.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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