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Home > Bromides > 1997-80-4

1997-80-4

1997-80-4 | Benzene, 1-(2-bromoethyl)-3-(trifluoromethyl)-

CAS No: 1997-80-4 Catalog No: AG002CAN MDL No:MFCD03092900

Product Description

Catalog Number:
AG002CAN
Chemical Name:
Benzene, 1-(2-bromoethyl)-3-(trifluoromethyl)-
CAS Number:
1997-80-4
Molecular Formula:
C9H8BrF3
Molecular Weight:
253.0590
MDL Number:
MFCD03092900
IUPAC Name:
1-(2-bromoethyl)-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H8BrF3/c10-5-4-7-2-1-3-8(6-7)9(11,12)13/h1-3,6H,4-5H2
InChI Key:
AZLYAPKPZBXCGX-UHFFFAOYSA-N
SMILES:
BrCCc1cccc(c1)C(F)(F)F

Properties

Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.976g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.062g/mol
Monoisotopic Mass:
251.976g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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