Home Amines 1016741-73-3
1016741-73-3,MFCD09810839
Catalog No.:AA00053J
1016741-73-3 | 1-Bromo-4-fluoro-3-(isopropylaminomethyl)benzene
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$86.00   $60.00
- +
5g
96%
in stock  
$258.00   $180.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00053J
Chemical Name:
1-Bromo-4-fluoro-3-(isopropylaminomethyl)benzene
CAS Number:
1016741-73-3
Molecular Formula:
C10H13BrFN
Molecular Weight:
246.1193
MDL Number:
MFCD09810839
IUPAC Name:
N-[(5-bromo-2-fluorophenyl)methyl]propan-2-amine
InChI:
InChI=1S/C10H13BrFN/c1-7(2)13-6-8-5-9(11)3-4-10(8)12/h3-5,7,13H,6H2,1-2H3
InChI Key:
IXXUYKRGUZVACR-UHFFFAOYSA-N
SMILES:
CC(NCc1cc(Br)ccc1F)C
Properties
Computed Properties
 
Complexity:
152  
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:
3  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
1016741-73-3 
1-Bromo-4-fluoro-3-(isopropylaminomethyl)benzene 
AKOS000155297 
MCULE-9360176639 
NE14494 
TC-103249 
Z6376 
EN300-32156 
N-[(5-bromo-2-fluorophenyl)methyl]propan-2-amine 
Z86130026 
Benzenemethanamine, 5-bromo-2-fluoro-N-(1-methylethyl)- 
C10H13BrFN 
[(5-bromo-2-fluorophenyl)methyl](propan-2-yl)amine 
ACMC-2097wa 
AC1Q1QC5 
CTK8A9004 
DTXSID90602673 
ANW-14504 
MFCD09810839 
ZINC19278018 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A