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101022-06-4

101022-06-4 | Methanone, diphenyl-, O-[(3,4-dichlorophenoxy)acetyl]oxime (9CI)

CAS No: 101022-06-4 Catalog No: AG0003KP MDL No:

Product Description

Catalog Number:
AG0003KP
Chemical Name:
Methanone, diphenyl-, O-[(3,4-dichlorophenoxy)acetyl]oxime (9CI)
CAS Number:
101022-06-4
Molecular Formula:
C21H15Cl2NO3
Molecular Weight:
400.2547
IUPAC Name:
(benzhydrylideneamino) 2-(3,4-dichlorophenoxy)acetate
InChI:
InChI=1S/C21H15Cl2NO3/c22-18-12-11-17(13-19(18)23)26-14-20(25)27-24-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,14H2
InChI Key:
XHHIWXCMMZLSHL-UHFFFAOYSA-N
SMILES:
O=C(COc1ccc(c(c1)Cl)Cl)ON=C(c1ccccc1)c1ccccc1

Properties

Complexity:
482  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.043g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.255g/mol
Monoisotopic Mass:
399.043g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6  

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