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16813-60-8 | Benzaldehyde, 2-(4-chloro-2-nitrophenoxy)-
CAS No: 16813-60-8 Catalog No: AG001XUN MDL No:
Product Description
Catalog Number:
AG001XUN
Chemical Name:
Benzaldehyde, 2-(4-chloro-2-nitrophenoxy)-
CAS Number:
16813-60-8
Molecular Formula:
C13H8ClNO4
Molecular Weight:
277.6599
IUPAC Name:
2-(4-chloro-2-nitrophenoxy)benzaldehyde
InChI:
InChI=1S/C13H8ClNO4/c14-10-5-6-13(11(7-10)15(17)18)19-12-4-2-1-3-9(12)8-16/h1-8H
InChI Key:
OMGDRCFWOXCCDL-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1Oc1ccc(cc1[N+](=O)[O-])Cl
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.014g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.66g/mol
Monoisotopic Mass:
277.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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