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288399-49-5 | 4H-1-Benzopyran-4-one, 3-bromo-6,8-dimethyl-
CAS No: 288399-49-5 Catalog No: AG002WQT MDL No:
Product Description
Catalog Number:
AG002WQT
Chemical Name:
4H-1-Benzopyran-4-one, 3-bromo-6,8-dimethyl-
CAS Number:
288399-49-5
Molecular Formula:
C11H9BrO2
Molecular Weight:
253.0920
IUPAC Name:
3-bromo-6,8-dimethylchromen-4-one
InChI:
InChI=1S/C11H9BrO2/c1-6-3-7(2)11-8(4-6)10(13)9(12)5-14-11/h3-5H,1-2H3
InChI Key:
YIGSOECXNIIBST-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)c(=O)c(co2)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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