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828267-54-5 | 2H-Azepin-2-one, 1-[1-(2-bromo-5-fluorophenyl)ethenyl]hexahydro-
CAS No: 828267-54-5 Catalog No: AG004SYC MDL No:
Product Description
Catalog Number:
AG004SYC
Chemical Name:
2H-Azepin-2-one, 1-[1-(2-bromo-5-fluorophenyl)ethenyl]hexahydro-
CAS Number:
828267-54-5
Molecular Formula:
C14H15BrFNO
Molecular Weight:
312.1774
IUPAC Name:
1-[1-(2-bromo-5-fluorophenyl)ethenyl]azepan-2-one
InChI:
InChI=1S/C14H15BrFNO/c1-10(12-9-11(16)6-7-13(12)15)17-8-4-2-3-5-14(17)18/h6-7,9H,1-5,8H2
InChI Key:
AIPPNOQPTGZWBU-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=C)N1CCCCCC1=O)Br
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.032g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.182g/mol
Monoisotopic Mass:
311.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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