Home Halogens Benzenemethanamine, 3-bromo-5-(trifluoromethyl)-

Benzenemethanamine, 3-bromo-5-(trifluoromethyl)-

CAS No.:
691877-04-0
Catalog Number:
AG00IBWR
Molecular Formula:
C8H7BrF3N
Molecular Weight:
254.0471
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Product Description
Catalog Number:
AG00IBWR
Chemical Name:
Benzenemethanamine, 3-bromo-5-(trifluoromethyl)-
CAS Number:
691877-04-0
Molecular Formula:
C8H7BrF3N
Molecular Weight:
254.0471
IUPAC Name:
[3-bromo-5-(trifluoromethyl)phenyl]methanamine
InChI:
InChI=1S/C8H7BrF3N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H,4,13H2
InChI Key:
DYFSALRUMZSKBU-UHFFFAOYSA-N
SMILES:
NCc1cc(Br)cc(c1)C(F)(F)F
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  
Properties