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846023-57-2

846023-57-2 | 2-Furancarboxaldehyde, 4-(2-methoxy-5-nitrophenyl)-

CAS No: 846023-57-2 Catalog No: AG004UAX MDL No:

Product Description

Catalog Number:
AG004UAX
Chemical Name:
2-Furancarboxaldehyde, 4-(2-methoxy-5-nitrophenyl)-
CAS Number:
846023-57-2
Molecular Formula:
C12H9NO5
Molecular Weight:
247.2036
IUPAC Name:
4-(2-methoxy-5-nitrophenyl)furan-2-carbaldehyde
InChI:
InChI=1S/C12H9NO5/c1-17-12-3-2-9(13(15)16)5-11(12)8-4-10(6-14)18-7-8/h2-7H,1H3
InChI Key:
DARFQAYUJHIGHL-UHFFFAOYSA-N
SMILES:
O=Cc1occ(c1)c1cc(ccc1OC)[N+](=O)[O-]

Properties

Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.048g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.206g/mol
Monoisotopic Mass:
247.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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