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85604-06-4 | 5-(Benzyloxy);-2-bromobenzaldehyde
CAS No: 85604-06-4 Catalog No: AG00513Y MDL No:MFCD03425931
Product Description
Catalog Number:
AG00513Y
Chemical Name:
5-(Benzyloxy);-2-bromobenzaldehyde
CAS Number:
85604-06-4
Molecular Formula:
C14H11BrO2
Molecular Weight:
291.1399
MDL Number:
MFCD03425931
IUPAC Name:
2-bromo-5-phenylmethoxybenzaldehyde
InChI:
InChI=1S/C14H11BrO2/c15-14-7-6-13(8-12(14)9-16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key:
NUBOCIQJROMWLP-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OCc2ccccc2)ccc1Br
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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