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Home > Aldehydes > 808750-22-3
808750-22-3 | Benzaldehyde,3-bromo-4-methoxy-5-methyl-
CAS No: 808750-22-3 Catalog No: AG008LMM MDL No:MFCD16877784
Product Description
Catalog Number:
AG008LMM
Chemical Name:
Benzaldehyde,3-bromo-4-methoxy-5-methyl-
CAS Number:
808750-22-3
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD16877784
IUPAC Name:
3-bromo-4-methoxy-5-methylbenzaldehyde
InChI:
InChI=1S/C9H9BrO2/c1-6-3-7(5-11)4-8(10)9(6)12-2/h3-5H,1-2H3
InChI Key:
IBBLVDGBJMFETG-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c(c(c1)Br)OC
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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