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1461705-79-2 | 6-bromo-3,4-dihydro-2H-1-benzopyran-8-carbaldehyde
CAS No: 1461705-79-2 Catalog No: AG01A6GD MDL No:MFCD25371822
Product Description
Catalog Number:
AG01A6GD
Chemical Name:
6-bromo-3,4-dihydro-2H-1-benzopyran-8-carbaldehyde
CAS Number:
1461705-79-2
Molecular Formula:
C10H9BrO2
Molecular Weight:
241.0813
MDL Number:
MFCD25371822
IUPAC Name:
6-bromo-3,4-dihydro-2H-chromene-8-carbaldehyde
InChI:
InChI=1S/C10H9BrO2/c11-9-4-7-2-1-3-13-10(7)8(5-9)6-12/h4-6H,1-3H2
InChI Key:
DPBZAXYEYVZIKC-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)cc2c1OCCC2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.084g/mol
Monoisotopic Mass:
239.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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