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Home > Aldehydes > 1445781-43-0
1445781-43-0 | 8-Quinazolinecarboxaldehyde, 5-bromo-
CAS No: 1445781-43-0 Catalog No: AG001JRU MDL No:
Product Description
Catalog Number:
AG001JRU
Chemical Name:
8-Quinazolinecarboxaldehyde, 5-bromo-
CAS Number:
1445781-43-0
Molecular Formula:
C9H5BrN2O
Molecular Weight:
237.0528
IUPAC Name:
5-bromoquinazoline-8-carbaldehyde
InChI:
InChI=1S/C9H5BrN2O/c10-8-2-1-6(4-13)9-7(8)3-11-5-12-9/h1-5H
InChI Key:
DJVLTFWZJRRQLD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c2c1ncnc2)Br
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.959g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.056g/mol
Monoisotopic Mass:
235.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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