200,000+ products from a single source!
sales@angenechem.com
188962-57-4 | 1,3-Benzenedicarbonitrile, trichlorohydroxy- (9CI)
CAS No: 188962-57-4 Catalog No: AG002HLV MDL No:
Product Description
Catalog Number:
AG002HLV
Chemical Name:
1,3-Benzenedicarbonitrile, trichlorohydroxy- (9CI)
CAS Number:
188962-57-4
Molecular Formula:
C8HCl3N2O
Molecular Weight:
247.4653
IUPAC Name:
4,5,6-trichloro-2-hydroxybenzene-1,3-dicarbonitrile
InChI:
InChI=1S/C8HCl3N2O/c9-5-3(1-12)8(14)4(2-13)6(10)7(5)11/h14H
InChI Key:
LHHIWNWVXIKFRD-UHFFFAOYSA-N
SMILES:
N#Cc1c(O)c(C#N)c(c(c1Cl)Cl)Cl
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.915g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.459g/mol
Monoisotopic Mass:
245.915g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.