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104614-28-0 | 4-Allyloxy-3-chlorobenzotrifluoride
CAS No: 104614-28-0 Catalog No: AG01FDPD MDL No:
Product Description
Catalog Number:
AG01FDPD
Chemical Name:
4-Allyloxy-3-chlorobenzotrifluoride
CAS Number:
104614-28-0
Molecular Formula:
C10H8ClF3O
Molecular Weight:
236.6181
IUPAC Name:
2-chloro-1-prop-2-enoxy-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C10H8ClF3O/c1-2-5-15-9-4-3-7(6-8(9)11)10(12,13)14/h2-4,6H,1,5H2
InChI Key:
QOMSDNKWQKJEDP-UHFFFAOYSA-N
SMILES:
C=CCOc1ccc(cc1Cl)C(F)(F)F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.022g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.618g/mol
Monoisotopic Mass:
236.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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