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Home > Aldehydes > 908850-33-9
908850-33-9 | 2-Thiophenecarboxaldehyde, 3,4-dibutyl-5-nitro-
CAS No: 908850-33-9 Catalog No: AG006TL3 MDL No:
Product Description
Catalog Number:
AG006TL3
Chemical Name:
2-Thiophenecarboxaldehyde, 3,4-dibutyl-5-nitro-
CAS Number:
908850-33-9
Molecular Formula:
C13H19NO3S
Molecular Weight:
269.3599
IUPAC Name:
3,4-dibutyl-5-nitrothiophene-2-carbaldehyde
InChI:
InChI=1S/C13H19NO3S/c1-3-5-7-10-11(8-6-4-2)13(14(16)17)18-12(10)9-15/h9H,3-8H2,1-2H3
InChI Key:
XRPYNQBYUKDMFE-UHFFFAOYSA-N
SMILES:
CCCCc1c(CCCC)c(sc1[N+](=O)[O-])C=O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.359g/mol
Monoisotopic Mass:
269.109g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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