Home Amines 1016496-17-5
1016496-17-5,MFCD09927562
Catalog No.:AA0004YE
1016496-17-5 | 4-Bromo-1-fluoro-2-(propylaminomethyl)benzene
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$172.00   $120.00
- +
5g
98%
in stock  
$572.00   $400.00
- +
10g
98%
in stock  
$945.00   $661.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0004YE
Chemical Name:
4-Bromo-1-fluoro-2-(propylaminomethyl)benzene
CAS Number:
1016496-17-5
Molecular Formula:
C10H13BrFN
Molecular Weight:
246.1193
MDL Number:
MFCD09927562
IUPAC Name:
N-[(5-bromo-2-fluorophenyl)methyl]propan-1-amine
InChI:
InChI=1S/C10H13BrFN/c1-2-5-13-7-8-6-9(11)3-4-10(8)12/h3-4,6,13H,2,5,7H2,1H3
InChI Key:
WFBLDEADLRETSL-UHFFFAOYSA-N
SMILES:
CCCNCc1cc(Br)ccc1F
Properties
Computed Properties
 
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.022g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.123g/mol
Monoisotopic Mass:
245.022g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
4-Bromo-1-fluoro-2-(propylaminomethyl)benzene 
1016496-17-5 
TC-103244 
Z6368 
Benzenemethanamine, 5-bromo-2-fluoro-N-propyl- 
N-[(5-bromo-2-fluorophenyl)methyl]propan-1-amine 
C10H13BrFN 
ACMC-2097w5 
SCHEMBL13535945 
CTK8A9000 
DTXSID60640724 
ANW-14499 
MFCD09927562 
ZINC19422239 
AKOS000167706 
Literature
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