Home Bromides 301193-44-2
301193-44-2,MFCD00169346
Catalog No.:AA00IUMM
301193-44-2 | N-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-2,4-difluoroaniline
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1mg
>90%
3 weeks  
$150.00
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5mg
>90%
3 weeks  
$162.00
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10mg
>90%
3 weeks  
$185.00
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20mg
>90%
3 weeks  
$226.00
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500mg
>90%
3 weeks  
$610.00
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Technical Information
Catalog Number:
AA00IUMM
Chemical Name:
N-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-2,4-difluoroaniline
CAS Number:
301193-44-2
Molecular Formula:
C14H10BrF2NO2
Molecular Weight:
342.1355
MDL Number:
MFCD00169346
IUPAC Name:
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2,4-difluoroaniline
InChI:
InChI=1S/C14H10BrF2NO2/c15-10-5-14-13(19-7-20-14)3-8(10)6-18-12-2-1-9(16)4-11(12)17/h1-5,18H,6-7H2
InChI Key:
JDCNOOMHGRFWSY-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)NCc1cc2OCOc2cc1Br
Properties
Computed Properties
 
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.986g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
342.14g/mol
Monoisotopic Mass:
340.986g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

Synonyms
 
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2,4-difluoroaniline 
301193-44-2 
CID677470 
ZINC00041130 
N-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-2,4-difluoroaniline 
AC1LDYSU 
Oprea1_828278 
ZINC41130 
KS-000026QC 
AKOS005107204 
JS-0286 
MCULE-1728670668 
Literature
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