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73220-36-7 | 4H-1-Benzopyran-4-one,3-bromo-6,7-dimethyl-
CAS No: 73220-36-7 Catalog No: AG005FPF MDL No:
Product Description
Catalog Number:
AG005FPF
Chemical Name:
4H-1-Benzopyran-4-one,3-bromo-6,7-dimethyl-
CAS Number:
73220-36-7
Molecular Formula:
C11H9BrO2
Molecular Weight:
253.0920
IUPAC Name:
3-bromo-6,7-dimethylchromen-4-one
InChI:
InChI=1S/C11H9BrO2/c1-6-3-8-10(4-7(6)2)14-5-9(12)11(8)13/h3-5H,1-2H3
InChI Key:
ZSDOKJQMJXSKFW-UHFFFAOYSA-N
SMILES:
Cc1cc2occ(c(=O)c2cc1C)Br
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.979g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.095g/mol
Monoisotopic Mass:
251.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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