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198649-68-2 | Benzene, 1-(bromomethyl)-2-(trifluoromethoxy)-
CAS No: 198649-68-2 Catalog No: AG002BNT MDL No:MFCD00236321
Product Description
Catalog Number:
AG002BNT
Chemical Name:
Benzene, 1-(bromomethyl)-2-(trifluoromethoxy)-
CAS Number:
198649-68-2
Molecular Formula:
C8H6BrF3O
Molecular Weight:
255.0318
MDL Number:
MFCD00236321
IUPAC Name:
1-(bromomethyl)-2-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H6BrF3O/c9-5-6-3-1-2-4-7(6)13-8(10,11)12/h1-4H,5H2
InChI Key:
TUNSVUOTVLWNQT-UHFFFAOYSA-N
SMILES:
BrCc1ccccc1OC(F)(F)F
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.955g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.034g/mol
Monoisotopic Mass:
253.955g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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