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507476-70-2 | 5-Bromoquinoline-8-carbonitrile
CAS No: 507476-70-2 Catalog No: AG00375G MDL No:MFCD21340269
Product Description
Catalog Number:
AG00375G
Chemical Name:
5-Bromoquinoline-8-carbonitrile
CAS Number:
507476-70-2
Molecular Formula:
C10H5BrN2
Molecular Weight:
233.0641
MDL Number:
MFCD21340269
IUPAC Name:
5-bromoquinoline-8-carbonitrile
InChI:
InChI=1S/C10H5BrN2/c11-9-4-3-7(6-12)10-8(9)2-1-5-13-10/h1-5H
InChI Key:
DAYKHFAZOORREQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1nccc2)Br
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.964g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.068g/mol
Monoisotopic Mass:
231.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Palladium-catalyzed microwave-assisted amination of 1-bromonaphthalenes and 5- and 8-bromoquinolines. | Organic letters 20030320 |
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