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Home > Nitro Compounds > 85418-51-5
85418-51-5 | 2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran
CAS No: 85418-51-5 Catalog No: AG00J07F MDL No:MFCD00955527
Product Description
Catalog Number:
AG00J07F
Chemical Name:
2,2,4-trimethyl-7-nitro-2,3-dihydro-1-benzofuran
CAS Number:
85418-51-5
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD00955527
IUPAC Name:
2,2,4-trimethyl-7-nitro-3H-1-benzofuran
InChI:
InChI=1S/C11H13NO3/c1-7-4-5-9(12(13)14)10-8(7)6-11(2,3)15-10/h4-5H,6H2,1-3H3
InChI Key:
BDZOGCZCVGCFSC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1OC(C2)(C)C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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