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886496-75-9 | 1-(Bromomethyl);-4-chloro-2-(trifluoromethyl);benzene
CAS No: 886496-75-9 Catalog No: AG003L2F MDL No:MFCD04115840
Product Description
Catalog Number:
AG003L2F
Chemical Name:
1-(Bromomethyl);-4-chloro-2-(trifluoromethyl);benzene
CAS Number:
886496-75-9
Molecular Formula:
C8H5BrClF3
Molecular Weight:
273.4775
MDL Number:
MFCD04115840
IUPAC Name:
1-(bromomethyl)-4-chloro-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5BrClF3/c9-4-5-1-2-6(10)3-7(5)8(11,12)13/h1-3H,4H2
InChI Key:
LFFCKOROEHFKQA-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1C(F)(F)F)Cl
Properties
Complexity:
171
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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