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828265-47-0 | 5H-Indeno[1,2-c]pyridazin-5-one, 3-(bromomethyl)-
CAS No: 828265-47-0 Catalog No: AG0055UG MDL No:
Product Description
Catalog Number:
AG0055UG
Chemical Name:
5H-Indeno[1,2-c]pyridazin-5-one, 3-(bromomethyl)-
CAS Number:
828265-47-0
Molecular Formula:
C12H7BrN2O
Molecular Weight:
275.1008
IUPAC Name:
3-(bromomethyl)indeno[1,2-c]pyridazin-5-one
InChI:
InChI=1S/C12H7BrN2O/c13-6-7-5-10-11(15-14-7)8-3-1-2-4-9(8)12(10)16/h1-5H,6H2
InChI Key:
MKXUAOOZRYSVBN-UHFFFAOYSA-N
SMILES:
BrCc1nnc2c(c1)C(=O)c1c2cccc1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.974g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.105g/mol
Monoisotopic Mass:
273.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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