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262590-95-4 | 2H-1-Benzopyran-3-carbonitrile, 6,8-dibromo-4-methyl-2-oxo-
CAS No: 262590-95-4 Catalog No: AG002SH6 MDL No:
Product Description
Catalog Number:
AG002SH6
Chemical Name:
2H-1-Benzopyran-3-carbonitrile, 6,8-dibromo-4-methyl-2-oxo-
CAS Number:
262590-95-4
Molecular Formula:
C11H5Br2NO2
Molecular Weight:
342.9709
IUPAC Name:
6,8-dibromo-4-methyl-2-oxochromene-3-carbonitrile
InChI:
InChI=1S/C11H5Br2NO2/c1-5-7-2-6(12)3-9(13)10(7)16-11(15)8(5)4-14/h2-3H,1H3
InChI Key:
GSOMUTAKSGLHCF-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)oc2c(c1C)cc(cc2Br)Br
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.867g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.974g/mol
Monoisotopic Mass:
340.869g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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