Home Halogens [(2-bromo-4-methylphenyl)methyl](thiophen-2-ylmethyl)amine

[(2-bromo-4-methylphenyl)methyl](thiophen-2-ylmethyl)amine

CAS No.:
1546851-83-5
Catalog Number:
AG01B80V
Molecular Formula:
C13H14BrNS
Molecular Weight:
296.2260
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Product Description
Catalog Number:
AG01B80V
Chemical Name:
[(2-bromo-4-methylphenyl)methyl](thiophen-2-ylmethyl)amine
CAS Number:
1546851-83-5
Molecular Formula:
C13H14BrNS
Molecular Weight:
296.2260
MDL Number:
MFCD24229505
IUPAC Name:
1-(2-bromo-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
InChI:
InChI=1S/C13H14BrNS/c1-10-4-5-11(13(14)7-10)8-15-9-12-3-2-6-16-12/h2-7,15H,8-9H2,1H3
InChI Key:
PDXYRAVNHHAJSX-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Br)CNCc1cccs1
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.003g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
296.226g/mol
Monoisotopic Mass:
295.003g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties