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140690-56-8 | Benzene, 1-(bromomethyl)-2,4-bis(trifluoromethyl)-
CAS No: 140690-56-8 Catalog No: AG001CP3 MDL No:MFCD00010306
Product Description
Catalog Number:
AG001CP3
Chemical Name:
Benzene, 1-(bromomethyl)-2,4-bis(trifluoromethyl)-
CAS Number:
140690-56-8
Molecular Formula:
C9H5BrF6
Molecular Weight:
307.0304
MDL Number:
MFCD00010306
IUPAC Name:
1-(bromomethyl)-2,4-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C9H5BrF6/c10-4-5-1-2-6(8(11,12)13)3-7(5)9(14,15)16/h1-3H,4H2
InChI Key:
SWFFFUJOWAJJCH-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.948g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.033g/mol
Monoisotopic Mass:
305.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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