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1443303-69-2 | 3-Allyloxy-4-chloro-benzotrifluoride
CAS No: 1443303-69-2 Catalog No: AG01FDJS MDL No:
Product Description
Catalog Number:
AG01FDJS
Chemical Name:
3-Allyloxy-4-chloro-benzotrifluoride
CAS Number:
1443303-69-2
Molecular Formula:
C10H8ClF3O
Molecular Weight:
236.6181
IUPAC Name:
1-chloro-2-prop-2-enoxy-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C10H8ClF3O/c1-2-5-15-9-6-7(10(12,13)14)3-4-8(9)11/h2-4,6H,1,5H2
InChI Key:
LEQBIHYMSGMTQI-UHFFFAOYSA-N
SMILES:
C=CCOc1cc(ccc1Cl)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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