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Home > Nitro Compounds > 13680-12-1
13680-12-1 | 8-Nitro-1,2,3,4-tetrahydrodibenzo[b,d]furan
CAS No: 13680-12-1 Catalog No: AG00HUP9 MDL No:MFCD00448097
Product Description
Catalog Number:
AG00HUP9
Chemical Name:
8-Nitro-1,2,3,4-tetrahydrodibenzo[b,d]furan
CAS Number:
13680-12-1
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD00448097
IUPAC Name:
8-nitro-1,2,3,4-tetrahydrodibenzofuran
InChI:
InChI=1S/C12H11NO3/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2
InChI Key:
BYZZDUWXRGPYJS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c1CCCCc1o2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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