Home Nitriles 7-Bromoquinoline-3-carbonitrile

7-Bromoquinoline-3-carbonitrile

CAS No.:
1375108-40-9
Catalog Number:
AG0013G6
Molecular Formula:
C10H5BrN2
Molecular Weight:
233.0641
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Product Description
Catalog Number:
AG0013G6
Chemical Name:
7-Bromoquinoline-3-carbonitrile
CAS Number:
1375108-40-9
Molecular Formula:
C10H5BrN2
Molecular Weight:
233.0641
MDL Number:
MFCD23163823
IUPAC Name:
7-bromoquinoline-3-carbonitrile
InChI:
InChI=1S/C10H5BrN2/c11-9-2-1-8-3-7(5-12)6-13-10(8)4-9/h1-4,6H
InChI Key:
QFRSJDDDOGXJKX-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2c(c1)ccc(c2)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  
Properties