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138473-53-7 | Oxazolo[2,3-a]isoquinolinium, 2-(bromomethyl)-2,3-dihydro-, bromide (1:1)
CAS No: 138473-53-7 Catalog No: AG00198P MDL No:
Product Description
Catalog Number:
AG00198P
Chemical Name:
Oxazolo[2,3-a]isoquinolinium, 2-(bromomethyl)-2,3-dihydro-, bromide (1:1)
CAS Number:
138473-53-7
Molecular Formula:
C12H11Br2NO
Molecular Weight:
345.0298
IUPAC Name:
2-(bromomethyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoquinolin-4-ium;bromide
InChI:
InChI=1S/C12H11BrNO.BrH/c13-7-10-8-14-6-5-9-3-1-2-4-11(9)12(14)15-10;/h1-6,10H,7-8H2;1H/q+1;/p-1
InChI Key:
FCLOQWDMOKDKTB-UHFFFAOYSA-M
SMILES:
BrCC1C[n+]2c(O1)c1ccccc1cc2.[Br-]
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.919g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.034g/mol
Monoisotopic Mass:
342.921g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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