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89642-34-2 | 2,3,5-Tribromobenzotrifluoride
CAS No: 89642-34-2 Catalog No: AG01EYSN MDL No:MFCD09800689
Product Description
Catalog Number:
AG01EYSN
Chemical Name:
2,3,5-Tribromobenzotrifluoride
CAS Number:
89642-34-2
Molecular Formula:
C7H2Br3F3
Molecular Weight:
382.7980
MDL Number:
MFCD09800689
IUPAC Name:
1,2,5-tribromo-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H2Br3F3/c8-3-1-4(7(11,12)13)6(10)5(9)2-3/h1-2H
InChI Key:
AJKPMJZDKAYKNK-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c(c1)C(F)(F)F)Br
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.764g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.8g/mol
Monoisotopic Mass:
379.766g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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