200,000+ products from a single source!
sales@angenechem.com
89314-27-2 | Acetic acid, [(3-bromophenyl)hydrazono]cyano-
CAS No: 89314-27-2 Catalog No: AG0040FB MDL No:
Product Description
Catalog Number:
AG0040FB
Chemical Name:
Acetic acid, [(3-bromophenyl)hydrazono]cyano-
CAS Number:
89314-27-2
Molecular Formula:
C9H6BrN3O2
Molecular Weight:
268.0668
IUPAC Name:
2-[(3-bromophenyl)hydrazinylidene]-2-cyanoacetic acid
InChI:
InChI=1S/C9H6BrN3O2/c10-6-2-1-3-7(4-6)12-13-8(5-11)9(14)15/h1-4,12H,(H,14,15)
InChI Key:
YUDPHWOZBLSKFF-UHFFFAOYSA-N
SMILES:
N#CC(=NNc1cccc(c1)Br)C(=O)O
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.964g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.07g/mol
Monoisotopic Mass:
266.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.