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261763-18-2 | Benzene, 4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)-
CAS No: 261763-18-2 Catalog No: AG002S1H MDL No:MFCD01631560
Product Description
Catalog Number:
AG002S1H
Chemical Name:
Benzene, 4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)-
CAS Number:
261763-18-2
Molecular Formula:
C8H5BrClF3O
Molecular Weight:
289.4769
MDL Number:
MFCD01631560
IUPAC Name:
4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H5BrClF3O/c9-4-5-1-2-7(6(10)3-5)14-8(11,12)13/h1-3H,4H2
InChI Key:
YTXRMMJPEBWDPE-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)Cl)OC(F)(F)F
Properties
Complexity:
188
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:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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