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Home > Aldehydes > 860003-88-9
860003-88-9 | 8-BROMO-2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBALDEHYDE
CAS No: 860003-88-9 Catalog No: AG004Q2O MDL No:MFCD07364381
Product Description
Catalog Number:
AG004Q2O
Chemical Name:
8-BROMO-2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBALDEHYDE
CAS Number:
860003-88-9
Molecular Formula:
C9H7BrO3
Molecular Weight:
243.0541
MDL Number:
MFCD07364381
IUPAC Name:
5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
InChI:
InChI=1S/C9H7BrO3/c10-7-3-6(5-11)4-8-9(7)13-2-1-12-8/h3-5H,1-2H2
InChI Key:
HRSYWPMGIIAQIW-UHFFFAOYSA-N
SMILES:
O=Cc1cc2OCCOc2c(c1)Br
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.056g/mol
Monoisotopic Mass:
241.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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