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Home > Aldehydes > 133871-69-9
133871-69-9 | Benzaldehyde, 2,4,6-tribromo-3-methoxy-
CAS No: 133871-69-9 Catalog No: AG00717I MDL No:
Product Description
Catalog Number:
AG00717I
Chemical Name:
Benzaldehyde, 2,4,6-tribromo-3-methoxy-
CAS Number:
133871-69-9
Molecular Formula:
C8H5Br3O2
Molecular Weight:
372.8361
IUPAC Name:
2,4,6-tribromo-3-methoxybenzaldehyde
InChI:
InChI=1S/C8H5Br3O2/c1-13-8-6(10)2-5(9)4(3-12)7(8)11/h2-3H,1H3
InChI Key:
UFQAZAHRAQNQJR-UHFFFAOYSA-N
SMILES:
COc1c(Br)cc(c(c1Br)C=O)Br
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.782g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.838g/mol
Monoisotopic Mass:
369.784g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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