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72164-98-8 | 4H-1-Benzopyran-3-carboxaldehyde, 6-bromo-4-oxo-, 3-oxime
CAS No: 72164-98-8 Catalog No: AG005VD2 MDL No:
Product Description
Catalog Number:
AG005VD2
Chemical Name:
4H-1-Benzopyran-3-carboxaldehyde, 6-bromo-4-oxo-, 3-oxime
CAS Number:
72164-98-8
Molecular Formula:
C10H6BrNO3
Molecular Weight:
268.0635
IUPAC Name:
6-bromo-3-(hydroxyiminomethyl)chromen-4-one
InChI:
InChI=1S/C10H6BrNO3/c11-7-1-2-9-8(3-7)10(13)6(4-12-14)5-15-9/h1-5,14H
InChI Key:
YWOYDSXGPUZKBI-UHFFFAOYSA-N
SMILES:
ON=Cc1coc2c(c1=O)cc(cc2)Br
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.953g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.066g/mol
Monoisotopic Mass:
266.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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