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1152088-62-4 | Benzenemethanamine, 5-bromo-2-(trifluoromethoxy)-
CAS No: 1152088-62-4 Catalog No: AG000GGC MDL No:MFCD03701030
Product Description
Catalog Number:
AG000GGC
Chemical Name:
Benzenemethanamine, 5-bromo-2-(trifluoromethoxy)-
CAS Number:
1152088-62-4
Molecular Formula:
C8H7BrF3NO
Molecular Weight:
270.0465
MDL Number:
MFCD03701030
IUPAC Name:
[5-bromo-2-(trifluoromethoxy)phenyl]methanamine
InChI:
InChI=1S/C8H7BrF3NO/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-3H,4,13H2
InChI Key:
NJQPNUQKZRXPOS-UHFFFAOYSA-N
SMILES:
NCc1cc(Br)ccc1OC(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:
268.966g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.049g/mol
Monoisotopic Mass:
268.966g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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