Home Halogens 1,1,3-Trichloroacetone

1,1,3-Trichloroacetone

CAS No.:
921-03-9
Catalog Number:
AG003D6M
Molecular Formula:
C3H3Cl3O
Molecular Weight:
161.4143
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Product Description
Catalog Number:
AG003D6M
Chemical Name:
1,1,3-Trichloroacetone
CAS Number:
921-03-9
Molecular Formula:
C3H3Cl3O
Molecular Weight:
161.4143
MDL Number:
MFCD00040500
IUPAC Name:
1,1,3-trichloropropan-2-one
InChI:
InChI=1S/C3H3Cl3O/c4-1-2(7)3(5)6/h3H,1H2
InChI Key:
ZWILTCXCTVMANU-UHFFFAOYSA-N
SMILES:
ClCC(=O)C(Cl)Cl
EC Number:
213-063-6
UNII:
8N0B05BDRQ
Properties
Complexity:
70.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.925g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.406g/mol
Monoisotopic Mass:
159.925g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties