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Home > Bromides > 1314687-82-5
1314687-82-5 | 3-Quinolinecarbonitrile, 6-bromo-
CAS No: 1314687-82-5 Catalog No: AG000W89 MDL No:MFCD26130641
Product Description
Catalog Number:
AG000W89
Chemical Name:
3-Quinolinecarbonitrile, 6-bromo-
CAS Number:
1314687-82-5
Molecular Formula:
C10H5BrN2
Molecular Weight:
233.0641
MDL Number:
MFCD26130641
IUPAC Name:
6-bromoquinoline-3-carbonitrile
InChI:
InChI=1S/C10H5BrN2/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-4,6H
InChI Key:
ZTDLEPVDXZCSPL-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2c(c1)cc(cc2)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:
2.3
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