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99067-25-1 | 7-bromo-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
CAS No: 99067-25-1 Catalog No: AG01AGLD MDL No:MFCD09118354
Product Description
Catalog Number:
AG01AGLD
Chemical Name:
7-bromo-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
CAS Number:
99067-25-1
MDL Number:
MFCD09118354
IUPAC Name:
6-bromo-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
InChI:
InChI=1S/C9H7BrO3/c10-7-4-9-8(3-6(7)5-11)12-1-2-13-9/h3-5H,1-2H2
InChI Key:
GRPOMPOKJNVQKD-UHFFFAOYSA-N
SMILES:
O=Cc1cc2OCCOc2cc1Br
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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