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68216-65-9 | Benzaldehyde, 3-bromo-2,5-dimethoxy-
CAS No: 68216-65-9 Catalog No: AG006D5Y MDL No:MFCD00091892
Product Description
Catalog Number:
AG006D5Y
Chemical Name:
Benzaldehyde, 3-bromo-2,5-dimethoxy-
CAS Number:
68216-65-9
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
MDL Number:
MFCD00091892
IUPAC Name:
3-bromo-2,5-dimethoxybenzaldehyde
InChI:
InChI=1S/C9H9BrO3/c1-12-7-3-6(5-11)9(13-2)8(10)4-7/h3-5H,1-2H3
InChI Key:
CNIRVMKPXOOBEV-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(c(c1)Br)OC
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.072g/mol
Monoisotopic Mass:
243.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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