Home Nitros Benzofuran, 2-butyl-5-nitro-

Benzofuran, 2-butyl-5-nitro-

CAS No.:
133238-87-6
Catalog Number:
AG0014FZ
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
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Product Description
Catalog Number:
AG0014FZ
Chemical Name:
Benzofuran, 2-butyl-5-nitro-
CAS Number:
133238-87-6
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD14525624
IUPAC Name:
2-butyl-5-nitro-1-benzofuran
InChI:
InChI=1S/C12H13NO3/c1-2-3-4-11-8-9-7-10(13(14)15)5-6-12(9)16-11/h5-8H,2-4H2,1H3
InChI Key:
XGAJABPTUOLUAE-UHFFFAOYSA-N
SMILES:
CCCCc1cc2c(o1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties