Home Halogens 3,4-dichlorobenzoyl cyanide

3,4-dichlorobenzoyl cyanide

CAS No.:
35022-44-7
Catalog Number:
AG01DWD6
Molecular Formula:
C8H3Cl2NO
Molecular Weight:
200.0215
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Product Description
Catalog Number:
AG01DWD6
Chemical Name:
3,4-dichlorobenzoyl cyanide
CAS Number:
35022-44-7
Molecular Formula:
C8H3Cl2NO
Molecular Weight:
200.0215
MDL Number:
MFCD31616809
IUPAC Name:
3,4-dichlorobenzoyl cyanide
InChI:
InChI=1S/C8H3Cl2NO/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3H
InChI Key:
ZYAUNVXZXNJJAN-UHFFFAOYSA-N
SMILES:
N#CC(=O)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.959g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.018g/mol
Monoisotopic Mass:
198.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties