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Home > Aldehydes > 105591-55-7
105591-55-7 | 4H-1-Benzopyran-2-carboxaldehyde, 6-bromo-4-oxo-
CAS No: 105591-55-7 Catalog No: AG007W26 MDL No:
Product Description
Catalog Number:
AG007W26
Chemical Name:
4H-1-Benzopyran-2-carboxaldehyde, 6-bromo-4-oxo-
CAS Number:
105591-55-7
Molecular Formula:
C10H5BrO3
Molecular Weight:
253.0489
IUPAC Name:
6-bromo-4-oxochromene-2-carbaldehyde
InChI:
InChI=1S/C10H5BrO3/c11-6-1-2-10-8(3-6)9(13)4-7(5-12)14-10/h1-5H
InChI Key:
IRTBJYFLFDEAMN-UHFFFAOYSA-N
SMILES:
O=Cc1cc(=O)c2c(o1)ccc(c2)Br
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.942g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.051g/mol
Monoisotopic Mass:
251.942g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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