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56394-22-0 | 6-Bromo-3-cyano-4-methylcoumarin
CAS No: 56394-22-0 Catalog No: AG003N45 MDL No:
Product Description
Catalog Number:
AG003N45
Chemical Name:
6-Bromo-3-cyano-4-methylcoumarin
CAS Number:
56394-22-0
IUPAC Name:
6-bromo-4-methyl-2-oxochromene-3-carbonitrile
InChI:
InChI=1S/C11H6BrNO2/c1-6-8-4-7(12)2-3-10(8)15-11(14)9(6)5-13/h2-4H,1H3
InChI Key:
NPCFOYALAZMRDI-UHFFFAOYSA-N
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.958g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.078g/mol
Monoisotopic Mass:
262.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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