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Home > Bromides > 1016817-08-5
1016817-08-5 | Spiro[piperidine-4,2'(1'H)-quinazolin]-4'(3'H)-one, 6'-bromo-
CAS No: 1016817-08-5 Catalog No: AG00056P MDL No:
Product Description
Catalog Number:
AG00056P
Chemical Name:
Spiro[piperidine-4,2'(1'H)-quinazolin]-4'(3'H)-one, 6'-bromo-
CAS Number:
1016817-08-5
Molecular Formula:
C12H14BrN3O
Molecular Weight:
296.1631
IUPAC Name:
6-bromospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
InChI:
InChI=1S/C12H14BrN3O/c13-8-1-2-10-9(7-8)11(17)16-12(15-10)3-5-14-6-4-12/h1-2,7,14-15H,3-6H2,(H,16,17)
InChI Key:
UWILCKSTCAMHIY-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)NC1(N2)CCNCC1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
296.168g/mol
Monoisotopic Mass:
295.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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