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828267-58-9 | 2H-Azepin-2-one, 1-[1-(1-bromo-2-naphthalenyl)ethenyl]hexahydro-
CAS No: 828267-58-9 Catalog No: AG004XKX MDL No:
Product Description
Catalog Number:
AG004XKX
Chemical Name:
2H-Azepin-2-one, 1-[1-(1-bromo-2-naphthalenyl)ethenyl]hexahydro-
CAS Number:
828267-58-9
Molecular Formula:
C18H18BrNO
Molecular Weight:
344.2456
IUPAC Name:
1-[1-(1-bromonaphthalen-2-yl)ethenyl]azepan-2-one
InChI:
InChI=1S/C18H18BrNO/c1-13(20-12-6-2-3-9-17(20)21)15-11-10-14-7-4-5-8-16(14)18(15)19/h4-5,7-8,10-11H,1-3,6,9,12H2
InChI Key:
GRDGERJVMVKMTC-UHFFFAOYSA-N
SMILES:
O=C1CCCCCN1C(=C)c1ccc2c(c1Br)cccc2
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.252g/mol
Monoisotopic Mass:
343.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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