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1258430-92-0 | Spiro[4H-azepine-4,2'(3'H)-benzofuran], 5'-broMo-1,2,3,5,6,7-hexahydro-
CAS No: 1258430-92-0 Catalog No: AG000OTF MDL No:
Product Description
Catalog Number:
AG000OTF
Chemical Name:
Spiro[4H-azepine-4,2'(3'H)-benzofuran], 5'-broMo-1,2,3,5,6,7-hexahydro-
CAS Number:
1258430-92-0
Molecular Formula:
C13H16BrNO
Molecular Weight:
282.1762
IUPAC Name:
6-bromospiro[1H-2-benzofuran-3,4'-azepane]
InChI:
InChI=1S/C13H16BrNO/c14-11-2-3-12-10(8-11)9-16-13(12)4-1-6-15-7-5-13/h2-3,8,15H,1,4-7,9H2
InChI Key:
QVIDEFPDDHSVNY-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)CC1(O2)CCNCCC1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.181g/mol
Monoisotopic Mass:
281.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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