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Home > Aldehydes > 168084-97-7
168084-97-7 | Benzaldehyde, 3-[(4-bromophenyl)methoxy]-
CAS No: 168084-97-7 Catalog No: AG001XS7 MDL No:MFCD02815463
Product Description
Catalog Number:
AG001XS7
Chemical Name:
Benzaldehyde, 3-[(4-bromophenyl)methoxy]-
CAS Number:
168084-97-7
Molecular Formula:
C14H11BrO2
Molecular Weight:
291.1399
MDL Number:
MFCD02815463
IUPAC Name:
3-[(4-bromophenyl)methoxy]benzaldehyde
InChI:
InChI=1S/C14H11BrO2/c15-13-6-4-11(5-7-13)10-17-14-3-1-2-12(8-14)9-16/h1-9H,10H2
InChI Key:
ZYCYRFSDPSJVJO-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)OCc1ccc(cc1)Br
Properties
Complexity:
236
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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