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Home > Aldehydes > 122835-14-7
122835-14-7 | Benzaldehyde, 5-bromo-2-(2-propyn-1-yloxy)-
CAS No: 122835-14-7 Catalog No: AG000JKA MDL No:MFCD03032051
Product Description
Catalog Number:
AG000JKA
Chemical Name:
Benzaldehyde, 5-bromo-2-(2-propyn-1-yloxy)-
CAS Number:
122835-14-7
Molecular Formula:
C10H7BrO2
Molecular Weight:
239.0654
MDL Number:
MFCD03032051
IUPAC Name:
5-bromo-2-prop-2-ynoxybenzaldehyde
InChI:
InChI=1S/C10H7BrO2/c1-2-5-13-10-4-3-9(11)6-8(10)7-12/h1,3-4,6-7H,5H2
InChI Key:
NZDZQWZJQYKDBC-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(cc1C=O)Br
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.963g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.068g/mol
Monoisotopic Mass:
237.963g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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