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1000577-04-7 | Benzene, 1-bromo-2-chloro-3-methyl-5-(trifluoromethoxy)-
CAS No: 1000577-04-7 Catalog No: AG0000QU MDL No:
Product Description
Catalog Number:
AG0000QU
Chemical Name:
Benzene, 1-bromo-2-chloro-3-methyl-5-(trifluoromethoxy)-
CAS Number:
1000577-04-7
Molecular Formula:
C8H5BrClF3O
Molecular Weight:
289.4769
IUPAC Name:
1-bromo-2-chloro-3-methyl-5-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H5BrClF3O/c1-4-2-5(14-8(11,12)13)3-6(9)7(4)10/h2-3H,1H3
InChI Key:
DLVWYEQUIUNXPQ-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1Cl)Br)OC(F)(F)F
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.916g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.476g/mol
Monoisotopic Mass:
287.916g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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