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1373864-66-4 | Benzene, 1-(chloromethyl)-2-fluoro-3-(trifluoromethoxy)-
CAS No: 1373864-66-4 Catalog No: AG00137S MDL No:MFCD22383780
Product Description
Catalog Number:
AG00137S
Chemical Name:
Benzene, 1-(chloromethyl)-2-fluoro-3-(trifluoromethoxy)-
CAS Number:
1373864-66-4
Molecular Formula:
C8H5ClF4O
Molecular Weight:
228.5713
MDL Number:
MFCD22383780
IUPAC Name:
1-(chloromethyl)-2-fluoro-3-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H5ClF4O/c9-4-5-2-1-3-6(7(5)10)14-8(11,12)13/h1-3H,4H2
InChI Key:
RXMSLJKBPIQURI-UHFFFAOYSA-N
SMILES:
ClCc1cccc(c1F)OC(F)(F)F
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.571g/mol
Monoisotopic Mass:
227.997g/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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