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18800-39-0 | Benzene, 1-(2-bromoethoxy)-3-(trifluoromethyl)-
CAS No: 18800-39-0 Catalog No: AG002GNB MDL No:MFCD00215501
Product Description
Catalog Number:
AG002GNB
Chemical Name:
Benzene, 1-(2-bromoethoxy)-3-(trifluoromethyl)-
CAS Number:
18800-39-0
Molecular Formula:
C9H8BrF3O
Molecular Weight:
269.0584
MDL Number:
MFCD00215501
IUPAC Name:
1-(2-bromoethoxy)-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H8BrF3O/c10-4-5-14-8-3-1-2-7(6-8)9(11,12)13/h1-3,6H,4-5H2
InChI Key:
NZOCBKYAZHDTDD-UHFFFAOYSA-N
SMILES:
BrCCOc1cccc(c1)C(F)(F)F
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.971g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.061g/mol
Monoisotopic Mass:
267.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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