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Home > Aldehydes > 158584-99-7
158584-99-7 | Benzaldehyde, 2-bromo-3-(phenylmethoxy)-
CAS No: 158584-99-7 Catalog No: AG001QBR MDL No:
Product Description
Catalog Number:
AG001QBR
Chemical Name:
Benzaldehyde, 2-bromo-3-(phenylmethoxy)-
CAS Number:
158584-99-7
Molecular Formula:
C14H11BrO2
Molecular Weight:
291.1399
IUPAC Name:
2-bromo-3-phenylmethoxybenzaldehyde
InChI:
InChI=1S/C14H11BrO2/c15-14-12(9-16)7-4-8-13(14)17-10-11-5-2-1-3-6-11/h1-9H,10H2
InChI Key:
OEQKLUDXMWUISR-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1Br)OCc1ccccc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.994g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.144g/mol
Monoisotopic Mass:
289.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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