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116215-67-9 | 3-Azabicyclo[3.2.0]hept-6-ene-2,4-dione, 1,5-dibromo-3-methyl-
CAS No: 116215-67-9 Catalog No: AG000BYW MDL No:
Product Description
Catalog Number:
AG000BYW
Chemical Name:
3-Azabicyclo[3.2.0]hept-6-ene-2,4-dione, 1,5-dibromo-3-methyl-
CAS Number:
116215-67-9
Molecular Formula:
C7H5Br2NO2
Molecular Weight:
294.9281
IUPAC Name:
1,5-dibromo-3-methyl-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione
InChI:
InChI=1S/C7H5Br2NO2/c1-10-4(11)6(8)2-3-7(6,9)5(10)12/h2-3H,1H3
InChI Key:
BWKVOZWVMMBXGP-UHFFFAOYSA-N
SMILES:
CN1C(=O)C2(C(C1=O)(Br)C=C2)Br
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.867g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.93g/mol
Monoisotopic Mass:
292.869g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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