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Home > Nitro Compounds > 7066-61-7
7066-61-7 | N-(4-ETHOXY-3,5-DIPROPAN-2-YL-PHENYL)-3-NITRO-BENZAMIDE
CAS No: 7066-61-7 Catalog No: AG005SUS MDL No:
Product Description
Catalog Number:
AG005SUS
Chemical Name:
N-(4-ETHOXY-3,5-DIPROPAN-2-YL-PHENYL)-3-NITRO-BENZAMIDE
CAS Number:
7066-61-7
Molecular Formula:
C21H26N2O4
Molecular Weight:
370.4421
IUPAC Name:
N-[4-ethoxy-3,5-di(propan-2-yl)phenyl]-3-nitrobenzamide
InChI:
InChI=1S/C21H26N2O4/c1-6-27-20-18(13(2)3)11-16(12-19(20)14(4)5)22-21(24)15-8-7-9-17(10-15)23(25)26/h7-14H,6H2,1-5H3,(H,22,24)
InChI Key:
GMPUCGVNAGLHEU-UHFFFAOYSA-N
SMILES:
CCOc1c(cc(cc1C(C)C)NC(=O)c1cccc(c1)[N+](=O)[O-])C(C)C
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.189g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.449g/mol
Monoisotopic Mass:
370.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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