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828267-52-3 | 2H-Azepin-2-one, 1-[1-(2-bromophenyl)ethenyl]hexahydro-
CAS No: 828267-52-3 Catalog No: AG0055U2 MDL No:
Product Description
Catalog Number:
AG0055U2
Chemical Name:
2H-Azepin-2-one, 1-[1-(2-bromophenyl)ethenyl]hexahydro-
CAS Number:
828267-52-3
Molecular Formula:
C14H16BrNO
Molecular Weight:
294.1869
IUPAC Name:
1-[1-(2-bromophenyl)ethenyl]azepan-2-one
InChI:
InChI=1S/C14H16BrNO/c1-11(12-7-4-5-8-13(12)15)16-10-6-2-3-9-14(16)17/h4-5,7-8H,1-3,6,9-10H2
InChI Key:
ZSJMXITVMNFURH-UHFFFAOYSA-N
SMILES:
O=C1CCCCCN1C(=C)c1ccccc1Br
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.042g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.192g/mol
Monoisotopic Mass:
293.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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