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Home > Nitro Compounds > 578704-16-2
578704-16-2 | Pyrazolo[3,4-b]azepine, 3-(2-benzofuranyl)-1,4,5,6,7,8-hexahydro-1-(4-nitrophenyl)- (9CI)
CAS No: 578704-16-2 Catalog No: AG00F2P3 MDL No:
Product Description
Catalog Number:
AG00F2P3
Chemical Name:
Pyrazolo[3,4-b]azepine, 3-(2-benzofuranyl)-1,4,5,6,7,8-hexahydro-1-(4-nitrophenyl)- (9CI)
CAS Number:
578704-16-2
IUPAC Name:
3-(1-benzofuran-2-yl)-1-(4-nitrophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
InChI:
InChI=1S/C21H18N4O3/c26-25(27)16-10-8-15(9-11-16)24-21-17(6-3-4-12-22-21)20(23-24)19-13-14-5-1-2-7-18(14)28-19/h1-2,5,7-11,13,22H,3-4,6,12H2
InChI Key:
RNDRDPHCVYVFDG-UHFFFAOYSA-N
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.138g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.4g/mol
Monoisotopic Mass:
374.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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