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1192539-95-9 | Benzenemethanamine, 4-bromo-2-(trifluoromethyl)-
CAS No: 1192539-95-9 Catalog No: AG000P6M MDL No:MFCD11520404
Product Description
Catalog Number:
AG000P6M
Chemical Name:
Benzenemethanamine, 4-bromo-2-(trifluoromethyl)-
CAS Number:
1192539-95-9
Molecular Formula:
C8H7BrF3N
Molecular Weight:
254.0471
MDL Number:
MFCD11520404
IUPAC Name:
[4-bromo-2-(trifluoromethyl)phenyl]methanamine
InChI:
InChI=1S/C8H7BrF3N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H,4,13H2
InChI Key:
GOXRWAZJVIOPFT-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1C(F)(F)F)Br
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.971g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.05g/mol
Monoisotopic Mass:
252.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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