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Home > Aldehydes > 137489-76-0
137489-76-0 | Benzaldehyde, 3-[(3-bromophenyl)methoxy]-
CAS No: 137489-76-0 Catalog No: AG0013CO MDL No:MFCD03422458
Product Description
Catalog Number:
AG0013CO
Chemical Name:
Benzaldehyde, 3-[(3-bromophenyl)methoxy]-
CAS Number:
137489-76-0
Molecular Formula:
C14H11BrO2
Molecular Weight:
291.1399
MDL Number:
MFCD03422458
IUPAC Name:
3-[(3-bromophenyl)methoxy]benzaldehyde
InChI:
InChI=1S/C14H11BrO2/c15-13-5-1-4-12(7-13)10-17-14-6-2-3-11(8-14)9-16/h1-9H,10H2
InChI Key:
VLPAVSIRLRIOPD-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)OCc1cccc(c1)Br
Properties
Complexity:
244
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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