Home Bromides 691877-03-9
691877-03-9,MFCD09800708
Catalog No.:AA003IZW
691877-03-9 | 3-bromo-5-(trifluoromethyl)benzonitrile
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1g
97%
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$6.00   $4.00
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25g
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  • Technical Information
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Technical Information
Catalog Number:
AA003IZW
Chemical Name:
3-bromo-5-(trifluoromethyl)benzonitrile
CAS Number:
691877-03-9
Molecular Formula:
C8H3BrF3N
Molecular Weight:
250.0153
MDL Number:
MFCD09800708
IUPAC Name:
3-bromo-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3BrF3N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H
InChI Key:
KZFVJLGAVFCPAZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)cc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.94g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.018g/mol
Monoisotopic Mass:
248.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
3-bromo-5-(trifluoromethyl)benzonitrile 
691877-03-9 
KZFVJLGAVFCPAZ-UHFFFAOYSA-N 
ACN-S004637 
ZX-AP003465 
ANW-58810 
DT1970 
MFCD09800708 
PC5486 
SBB055285 
ZINC16159345 
AKOS005255277 
3-Bromo-5-cyanobenzotrifluoride 
AM62555 
FCH1393387 
MCULE-1639038916 
QC-7719 
TF10115 
TRA0045109 
VZ26457 
5-(trifluoromethyl)-3-bromo benzonitrile 
AJ-68660 
AS-19883 
Benzonitrile, 3-bromo-5-(trifluoromethyl)- 
BBV-40269494 
BC003714 
CJ-15459 
SY018437 
AB0042888 
AX8085173 
RT-002343 
3-bromo-5-cyanobenzotrifluoride, AldrichCPR 
A1777 
CS-0041447 
5-bromo-3-(trifluoromethyl)benzenecarbonitrile 
FT-0654451 
ST24041892 
ST50949924 
Z0783 
EN300-126351 
Q-8479 
MFCD09800708 (97+%) 
I01-2441 
C8H3BrF3N 
CID11593995 
AK-61909 
1379365-19-1 
PubChem13037 
SCHEMBL504781 
CTK7C7072 
DTXSID10469144 
Literature
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