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139266-56-1 | 4H-Pyran-2-carboxylic acid, 3,5-dibromo-6-(4-methylphenyl)-4-oxo-, methyl ester
CAS No: 139266-56-1 Catalog No: AG001AM0 MDL No:
Product Description
Catalog Number:
AG001AM0
Chemical Name:
4H-Pyran-2-carboxylic acid, 3,5-dibromo-6-(4-methylphenyl)-4-oxo-, methyl ester
CAS Number:
139266-56-1
Molecular Formula:
C14H10Br2O4
Molecular Weight:
402.0348
IUPAC Name:
methyl 3,5-dibromo-6-(4-methylphenyl)-4-oxopyran-2-carboxylate
InChI:
InChI=1S/C14H10Br2O4/c1-7-3-5-8(6-4-7)12-9(15)11(17)10(16)13(20-12)14(18)19-2/h3-6H,1-2H3
InChI Key:
AHABCIXVIRDFKD-UHFFFAOYSA-N
SMILES:
COC(=O)c1oc(c2ccc(cc2)C)c(c(=O)c1Br)Br
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.893g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.038g/mol
Monoisotopic Mass:
399.895g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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