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Home > Aldehydes > 1780038-16-5
1780038-16-5 | 2-bromo-3-methoxy-6-methylbenzaldehyde
CAS No: 1780038-16-5 Catalog No: AG01DYVV MDL No:MFCD28533287
Product Description
Catalog Number:
AG01DYVV
Chemical Name:
2-bromo-3-methoxy-6-methylbenzaldehyde
CAS Number:
1780038-16-5
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD28533287
IUPAC Name:
2-bromo-3-methoxy-6-methylbenzaldehyde
InChI:
InChI=1S/C9H9BrO2/c1-6-3-4-8(12-2)9(10)7(6)5-11/h3-5H,1-2H3
InChI Key:
ZKJZDXDLMOOGDO-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1Br)C=O)C
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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