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17076-72-1 | 3-(4-Nitrophenoxy)-benzaldehyde
CAS No: 17076-72-1 Catalog No: AG00AQII MDL No:MFCD18207479
Product Description
Catalog Number:
AG00AQII
Chemical Name:
3-(4-Nitrophenoxy)-benzaldehyde
CAS Number:
17076-72-1
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
MDL Number:
MFCD18207479
IUPAC Name:
3-(4-nitrophenoxy)benzaldehyde
InChI:
InChI=1S/C13H9NO4/c15-9-10-2-1-3-13(8-10)18-12-6-4-11(5-7-12)14(16)17/h1-9H
InChI Key:
NGXQRTNNSHZDDA-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.218g/mol
Monoisotopic Mass:
243.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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