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81577-16-4 | 1-(1-Bromo-2,2,2-trifluoro-ethyl)-4-chloro-benzene
CAS No: 81577-16-4 Catalog No: AG01EXIG MDL No:MFCD12789660
Product Description
Catalog Number:
AG01EXIG
Chemical Name:
1-(1-Bromo-2,2,2-trifluoro-ethyl)-4-chloro-benzene
CAS Number:
81577-16-4
Molecular Formula:
C8H5BrClF3
Molecular Weight:
273.4775
MDL Number:
MFCD12789660
IUPAC Name:
1-(1-bromo-2,2,2-trifluoroethyl)-4-chlorobenzene
InChI:
InChI=1S/C8H5BrClF3/c9-7(8(11,12)13)5-1-3-6(10)4-2-5/h1-4,7H
InChI Key:
ITNDUQJYMQWYAI-UHFFFAOYSA-N
SMILES:
BrC(C(F)(F)F)c1ccc(cc1)Cl
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.922g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.477g/mol
Monoisotopic Mass:
271.922g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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