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304876-31-1 | Spiro[3H-indole-3,4'-[4H]pyran]-2(1H)-one, 5-bromo-2',3',5',6'-tetrahydro-
CAS No: 304876-31-1 Catalog No: AG0030BK MDL No:MFCD18071511
Product Description
Catalog Number:
AG0030BK
Chemical Name:
Spiro[3H-indole-3,4'-[4H]pyran]-2(1H)-one, 5-bromo-2',3',5',6'-tetrahydro-
CAS Number:
304876-31-1
Molecular Formula:
C12H12BrNO2
Molecular Weight:
282.1332
MDL Number:
MFCD18071511
IUPAC Name:
5-bromospiro[1H-indole-3,4'-oxane]-2-one
InChI:
InChI=1S/C12H12BrNO2/c13-8-1-2-10-9(7-8)12(11(15)14-10)3-5-16-6-4-12/h1-2,7H,3-6H2,(H,14,15)
InChI Key:
GEYZZDOKMLGPLQ-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C31CCOCC3)cc(cc2)Br
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.137g/mol
Monoisotopic Mass:
281.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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