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Home > Aldehydes > 669739-11-1
669739-11-1 | 5-BROMO-2-(3-METHYLBUTOXY)BENZALDEHYDE
CAS No: 669739-11-1 Catalog No: AG005RWC MDL No:MFCD03422447
Product Description
Catalog Number:
AG005RWC
Chemical Name:
5-BROMO-2-(3-METHYLBUTOXY)BENZALDEHYDE
CAS Number:
669739-11-1
Molecular Formula:
C12H15BrO2
Molecular Weight:
271.1503
MDL Number:
MFCD03422447
IUPAC Name:
5-bromo-2-(3-methylbutoxy)benzaldehyde
InChI:
InChI=1S/C12H15BrO2/c1-9(2)5-6-15-12-4-3-11(13)7-10(12)8-14/h3-4,7-9H,5-6H2,1-2H3
InChI Key:
NKBXANRVXQBCDL-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)ccc1OCCC(C)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.154g/mol
Monoisotopic Mass:
270.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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