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Home > Aldehydes > 186093-87-8
186093-87-8 | 5-Benzofurancarboxaldehyde,2-(4-bromobenzoyl)-
CAS No: 186093-87-8 Catalog No: AG0076B1 MDL No:MFCD01313784
Product Description
Catalog Number:
AG0076B1
Chemical Name:
5-Benzofurancarboxaldehyde,2-(4-bromobenzoyl)-
CAS Number:
186093-87-8
Molecular Formula:
C16H9BrO3
Molecular Weight:
329.1449
MDL Number:
MFCD01313784
IUPAC Name:
2-(4-bromobenzoyl)-1-benzofuran-5-carbaldehyde
InChI:
InChI=1S/C16H9BrO3/c17-13-4-2-11(3-5-13)16(19)15-8-12-7-10(9-18)1-6-14(12)20-15/h1-9H
InChI Key:
CXNIVXNXALFJFS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)cc(o2)C(=O)c1ccc(cc1)Br
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.974g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.149g/mol
Monoisotopic Mass:
327.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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