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116827-40-8 | Benzene, 1-(chloromethyl)-2-(trifluoromethoxy)-
CAS No: 116827-40-8 Catalog No: AG000DAG MDL No:MFCD00221456
Product Description
Catalog Number:
AG000DAG
Chemical Name:
Benzene, 1-(chloromethyl)-2-(trifluoromethoxy)-
CAS Number:
116827-40-8
Molecular Formula:
C8H6ClF3O
Molecular Weight:
210.5808
MDL Number:
MFCD00221456
IUPAC Name:
1-(chloromethyl)-2-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H6ClF3O/c9-5-6-3-1-2-4-7(6)13-8(10,11)12/h1-4H,5H2
InChI Key:
ZGXDTWNEZOBSBJ-UHFFFAOYSA-N
SMILES:
ClCc1ccccc1OC(F)(F)F
Properties
Complexity:
160
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:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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