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115844-00-3 | Benzenamine, 4-bromo-2-chloro-5-(trifluoromethoxy)-
CAS No: 115844-00-3 Catalog No: AG000GY7 MDL No:
Product Description
Catalog Number:
AG000GY7
Chemical Name:
Benzenamine, 4-bromo-2-chloro-5-(trifluoromethoxy)-
CAS Number:
115844-00-3
Molecular Formula:
C7H4BrClF3NO
Molecular Weight:
290.4650
IUPAC Name:
4-bromo-2-chloro-5-(trifluoromethoxy)aniline
InChI:
InChI=1S/C7H4BrClF3NO/c8-3-1-4(9)5(13)2-6(3)14-7(10,11)12/h1-2H,13H2
InChI Key:
NUCJNDMRLBQJAH-UHFFFAOYSA-N
SMILES:
Brc1cc(Cl)c(cc1OC(F)(F)F)N
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.912g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.464g/mol
Monoisotopic Mass:
288.912g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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