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Home > Nitro Compounds > 338418-36-3
338418-36-3 | N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzamide
CAS No: 338418-36-3 Catalog No: AG00IOZQ MDL No:MFCD00139820
Product Description
Catalog Number:
AG00IOZQ
Chemical Name:
N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzamide
CAS Number:
338418-36-3
Molecular Formula:
C20H14N2O6
Molecular Weight:
378.3350
MDL Number:
MFCD00139820
IUPAC Name:
N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-nitrobenzamide
InChI:
InChI=1S/C20H14N2O6/c1-12-16(18(23)13-5-3-2-4-6-13)11-17(20(25)28-12)21-19(24)14-7-9-15(10-8-14)22(26)27/h2-11H,1H3,(H,21,24)
InChI Key:
WMHWDFXFCZHORD-UHFFFAOYSA-N
SMILES:
O=c1oc(C)c(cc1NC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)c1ccccc1
Properties
Complexity:
734
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.085g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.34g/mol
Monoisotopic Mass:
378.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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