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Home > Nitro Compounds > 68901-03-1
68901-03-1 | 1-(2,5-Diethoxy-4-nitrophenyl)hexahydro-1H-azepine
CAS No: 68901-03-1 Catalog No: AG00FOKS MDL No:
Product Description
Catalog Number:
AG00FOKS
Chemical Name:
1-(2,5-Diethoxy-4-nitrophenyl)hexahydro-1H-azepine
CAS Number:
68901-03-1
IUPAC Name:
1-(2,5-diethoxy-4-nitrophenyl)azepane
InChI:
InChI=1S/C16H24N2O4/c1-3-21-15-12-14(18(19)20)16(22-4-2)11-13(15)17-9-7-5-6-8-10-17/h11-12H,3-10H2,1-2H3
InChI Key:
ZHCOSGIWOWHIHV-UHFFFAOYSA-N
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.378g/mol
Monoisotopic Mass:
308.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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