Home Aldehydes Benzaldehyde, 2-ethoxy-5-nitro- (9CI)

Benzaldehyde, 2-ethoxy-5-nitro- (9CI)

CAS No.:
741738-54-5
Catalog Number:
AG00FF3P
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG00FF3P
Chemical Name:
Benzaldehyde, 2-ethoxy-5-nitro- (9CI)
CAS Number:
741738-54-5
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00774368
IUPAC Name:
2-ethoxy-5-nitrobenzaldehyde
InChI:
InChI=1S/C9H9NO4/c1-2-14-9-4-3-8(10(12)13)5-7(9)6-11/h3-6H,2H2,1H3
InChI Key:
FIRASLIMSQEZFO-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C=O)[N+](=O)[O-]
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties