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Home > Fluorides > 168272-59-1
168272-59-1 | CYCLOHEPTA[B]PYRROLE-3-CARBOXAMIDE, N-(2-FLUORO-4-METHOXYPHENYL)-1,4,5,6,7,8-HEXAHYDRO-4-OXO-
CAS No: 168272-59-1 Catalog No: AG001XZG MDL No:
Product Description
Catalog Number:
AG001XZG
Chemical Name:
CYCLOHEPTA[B]PYRROLE-3-CARBOXAMIDE, N-(2-FLUORO-4-METHOXYPHENYL)-1,4,5,6,7,8-HEXAHYDRO-4-OXO-
CAS Number:
168272-59-1
Molecular Formula:
C17H17FN2O3
Molecular Weight:
316.3269
IUPAC Name:
N-(2-fluoro-4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
InChI:
InChI=1S/C17H17FN2O3/c1-23-10-6-7-13(12(18)8-10)20-17(22)11-9-19-14-4-2-3-5-15(21)16(11)14/h6-9,19H,2-5H2,1H3,(H,20,22)
InChI Key:
OVIGGAOMLUKHDD-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)F)NC(=O)c1c[nH]c2c1C(=O)CCCC2
UNII:
68OD0S0GM9
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.122g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.332g/mol
Monoisotopic Mass:
316.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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