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Home Halogens 4-bromo-N-{[4-(trifluoromethyl)phenyl]methyl}aniline

4-bromo-N-{[4-(trifluoromethyl)phenyl]methyl}aniline

CAS No.:
1041538-12-8
Catalog Number:
AG01A449
Molecular Formula:
C14H11BrF3N
Molecular Weight:
330.1430
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Product Description
Catalog Number:
AG01A449
Chemical Name:
4-bromo-N-{[4-(trifluoromethyl)phenyl]methyl}aniline
CAS Number:
1041538-12-8
Molecular Formula:
C14H11BrF3N
Molecular Weight:
330.1430
MDL Number:
MFCD12443795
IUPAC Name:
4-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
InChI:
InChI=1S/C14H11BrF3N/c15-12-5-7-13(8-6-12)19-9-10-1-3-11(4-2-10)14(16,17)18/h1-8,19H,9H2
InChI Key:
IDLCOISEYAOIIL-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)NCc1ccc(cc1)C(F)(F)F
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.003g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
330.148g/mol
Monoisotopic Mass:
329.003g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Properties