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Home > Bromides > 1378869-35-2
1378869-35-2 | Benzene, 1-bromo-4-(bromomethyl)-2-(trifluoromethoxy)-
CAS No: 1378869-35-2 Catalog No: AG00140W MDL No:
Product Description
Catalog Number:
AG00140W
Chemical Name:
Benzene, 1-bromo-4-(bromomethyl)-2-(trifluoromethoxy)-
CAS Number:
1378869-35-2
Molecular Formula:
C8H5Br2F3O
Molecular Weight:
333.9279
IUPAC Name:
1-bromo-4-(bromomethyl)-2-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H5Br2F3O/c9-4-5-1-2-6(10)7(3-5)14-8(11,12)13/h1-3H,4H2
InChI Key:
RUPWXGBVLOUFKO-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)OC(F)(F)F)Br
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.864g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.93g/mol
Monoisotopic Mass:
331.866g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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