Home Halogens 2-(3,4-dichlorophenoxy)acetonitrile

2-(3,4-dichlorophenoxy)acetonitrile

CAS No.:
38949-69-8
Catalog Number:
AG01B8O1
Molecular Formula:
C8H5Cl2NO
Molecular Weight:
202.0374
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Product Description
Catalog Number:
AG01B8O1
Chemical Name:
2-(3,4-dichlorophenoxy)acetonitrile
CAS Number:
38949-69-8
Molecular Formula:
C8H5Cl2NO
Molecular Weight:
202.0374
MDL Number:
MFCD00464956
IUPAC Name:
2-(3,4-dichlorophenoxy)acetonitrile
InChI:
InChI=1S/C8H5Cl2NO/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5H,4H2
InChI Key:
NIQAEZYNTJNSMP-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(c(c1)Cl)Cl
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.975g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.034g/mol
Monoisotopic Mass:
200.975g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties