200,000+ products from a single source!
sales@angenechem.com
884504-64-7 | 6-(3-BROMOPHENYL)-6-OXOHEXANENITRILE
CAS No: 884504-64-7 Catalog No: AG004IO8 MDL No:
Product Description
Catalog Number:
AG004IO8
Chemical Name:
6-(3-BROMOPHENYL)-6-OXOHEXANENITRILE
CAS Number:
884504-64-7
Molecular Formula:
C12H12BrNO
Molecular Weight:
266.1338
IUPAC Name:
6-(3-bromophenyl)-6-oxohexanenitrile
InChI:
InChI=1S/C12H12BrNO/c13-11-6-4-5-10(9-11)12(15)7-2-1-3-8-14/h4-6,9H,1-3,7H2
InChI Key:
UKTLGIJCGDBFOT-UHFFFAOYSA-N
SMILES:
N#CCCCCC(=O)c1cccc(c1)Br
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.138g/mol
Monoisotopic Mass:
265.01g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.