Home Halogens 4-chloro-2-methyl-1-(trifluoromethoxy)benzene

4-chloro-2-methyl-1-(trifluoromethoxy)benzene

CAS No.:
70692-44-3
Catalog Number:
AG01B20W
Molecular Formula:
C8H6ClF3O
Molecular Weight:
210.5808
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Product Description
Catalog Number:
AG01B20W
Chemical Name:
4-chloro-2-methyl-1-(trifluoromethoxy)benzene
CAS Number:
70692-44-3
Molecular Formula:
C8H6ClF3O
Molecular Weight:
210.5808
MDL Number:
MFCD22580771
IUPAC Name:
4-chloro-2-methyl-1-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H6ClF3O/c1-5-4-6(9)2-3-7(5)13-8(10,11)12/h2-4H,1H3
InChI Key:
NDZHSPDLTLLMSL-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C)OC(F)(F)F
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.006g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.58g/mol
Monoisotopic Mass:
210.006g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties