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Home > Aldehydes > 109165-13-1
109165-13-1 | Benzaldehyde, 2-(acetyloxy)-3,5-dibromo-
CAS No: 109165-13-1 Catalog No: AG007BBT MDL No:
Product Description
Catalog Number:
AG007BBT
Chemical Name:
Benzaldehyde, 2-(acetyloxy)-3,5-dibromo-
CAS Number:
109165-13-1
Molecular Formula:
C9H6Br2O3
Molecular Weight:
321.9501
IUPAC Name:
(2,4-dibromo-6-formylphenyl) acetate
InChI:
InChI=1S/C9H6Br2O3/c1-5(13)14-9-6(4-12)2-7(10)3-8(9)11/h2-4H,1H3
InChI Key:
MXQDLUMAZBZQJX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)cc(c1OC(=O)C)Br
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.866g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.952g/mol
Monoisotopic Mass:
319.868g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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