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262590-97-6 | 2H-1-Benzopyran-2-one, 6,8-dichloro-4-methyl-3-phenyl-
CAS No: 262590-97-6 Catalog No: AG002SH4 MDL No:
Product Description
Catalog Number:
AG002SH4
Chemical Name:
2H-1-Benzopyran-2-one, 6,8-dichloro-4-methyl-3-phenyl-
CAS Number:
262590-97-6
Molecular Formula:
C16H10Cl2O2
Molecular Weight:
305.1554
IUPAC Name:
6,8-dichloro-4-methyl-3-phenylchromen-2-one
InChI:
InChI=1S/C16H10Cl2O2/c1-9-12-7-11(17)8-13(18)15(12)20-16(19)14(9)10-5-3-2-4-6-10/h2-8H,1H3
InChI Key:
HUDLYTJSLKPANB-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c2c(c1)c(C)c(c(=O)o2)c1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.006g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.154g/mol
Monoisotopic Mass:
304.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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