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Home > Nitro Compounds > 400076-08-6
400076-08-6 | 3-methyl-5-nitro-2-(4-nitrobenzoyl)-1-benzofuran
CAS No: 400076-08-6 Catalog No: AG00IPII MDL No:MFCD00665642
Product Description
Catalog Number:
AG00IPII
Chemical Name:
3-methyl-5-nitro-2-(4-nitrobenzoyl)-1-benzofuran
CAS Number:
400076-08-6
Molecular Formula:
C16H10N2O6
Molecular Weight:
326.2604
MDL Number:
MFCD00665642
IUPAC Name:
(3-methyl-5-nitro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone
InChI:
InChI=1S/C16H10N2O6/c1-9-13-8-12(18(22)23)6-7-14(13)24-16(9)15(19)10-2-4-11(5-3-10)17(20)21/h2-8H,1H3
InChI Key:
NGFCXQJABWHOHN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C(=O)c1oc2c(c1C)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.054g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.264g/mol
Monoisotopic Mass:
326.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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