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406-81-5 | 4-Bromo-1,1,1-trifluorobutane
CAS No: 406-81-5 Catalog No: AG003E4P MDL No:MFCD00066335
Product Description
Catalog Number:
AG003E4P
Chemical Name:
4-Bromo-1,1,1-trifluorobutane
CAS Number:
406-81-5
Molecular Formula:
C4H6BrF3
Molecular Weight:
190.9896
MDL Number:
MFCD00066335
IUPAC Name:
4-bromo-1,1,1-trifluorobutane
InChI:
InChI=1S/C4H6BrF3/c5-3-1-2-4(6,7)8/h1-3H2
InChI Key:
DBCAQXHNJOFNGC-UHFFFAOYSA-N
SMILES:
BrCCCC(F)(F)F
Properties
Complexity:
58.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.96g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.991g/mol
Monoisotopic Mass:
189.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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