Home Bromides 1000994-95-5
1000994-95-5,MFCD11110333
Catalog No.:AA0000U6
1-Bromo-4-(1,1-difluoroethyl);benzene | 1000994-95-5
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1g
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5g
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000U6
Chemical Name:
1-Bromo-4-(1,1-difluoroethyl);benzene
CAS Number:
1000994-95-5
Molecular Formula:
C8H7BrF2
Molecular Weight:
221.0420
MDL Number:
MFCD11110333
IUPAC Name:
1-bromo-4-(1,1-difluoroethyl)benzene
InChI:
InChI=1S/C8H7BrF2/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5H,1H3
InChI Key:
QXIBKCFAFRHORF-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)Br)(F)F
Properties
Computed Properties
 
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.97g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.045g/mol
Monoisotopic Mass:
219.97g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

Synonyms
 
1-bromo-4-(1,1-difluoroethyl)benzene 
1000994-95-5 
DTXSID20669759 
QXIBKCFAFRHORF-UHFFFAOYSA-N 
0092AA 
ANW-55395 
BBL102453 
Bromo-4-(1,1-difluoroethyl)benzene 
MFCD11110333 
STL556255 
ZINC49581117 
AKOS005258105 
1-Bromo-4-(1,1-difluoro-ethyl)-benzene 
CS-W007309 
FCH1327413 
PC53201 
QC-4978 
RTC-010356 
1-Bromo-4-(1,1-difluoroethyl)-Benzene 
BC005245 
DS-16508 
SC-91085 
SY035975 
4-(1,1-Difluoroethyl)bromobenzene 
AB0095945 
AJ-111047 
AX8207740 
TC-010356 
FT-0681746 
MFCD11110333 (95%) 
1-(4-BROMOPHENYL)-1,1-DIFLUOROETHANE 
Y-9326 
J-000044 
I01-12909 
AK-67199 
C8H7BrF2 
ACN-032446 
A16148 
1-Bromo-4-(1,1-difluoroethyl)benzene, 95% 
Benzene, 1-bromo-4-(1,1-difluoroethyl)- 
SCHEMBL13526 
CTK3J8531 
KS-00000OAR 
Literature
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