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Home > Aldehydes > 103455-90-9
103455-90-9 | Benzaldehyde, 2-(4-chlorobutoxy)-5-nitro-
CAS No: 103455-90-9 Catalog No: AG007GIN MDL No:
Product Description
Catalog Number:
AG007GIN
Chemical Name:
Benzaldehyde, 2-(4-chlorobutoxy)-5-nitro-
CAS Number:
103455-90-9
Molecular Formula:
C11H12ClNO4
Molecular Weight:
257.6703
IUPAC Name:
2-(4-chlorobutoxy)-5-nitrobenzaldehyde
InChI:
InChI=1S/C11H12ClNO4/c12-5-1-2-6-17-11-4-3-10(13(15)16)7-9(11)8-14/h3-4,7-8H,1-2,5-6H2
InChI Key:
RXXQPDFZOJJHOL-UHFFFAOYSA-N
SMILES:
ClCCCCOc1ccc(cc1C=O)[N+](=O)[O-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.67g/mol
Monoisotopic Mass:
257.045g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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