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232602-79-8 | Pentanoic acid, 5-bromo-4-chloro-4,5,5-trifluoro-
CAS No: 232602-79-8 Catalog No: AG002MPC MDL No:MFCD00153680
Product Description
Catalog Number:
AG002MPC
Chemical Name:
Pentanoic acid, 5-bromo-4-chloro-4,5,5-trifluoro-
CAS Number:
232602-79-8
Molecular Formula:
C5H5BrClF3O2
Molecular Weight:
269.4442
MDL Number:
MFCD00153680
IUPAC Name:
5-bromo-4-chloro-4,5,5-trifluoropentanoic acid
InChI:
InChI=1S/C5H5BrClF3O2/c6-5(9,10)4(7,8)2-1-3(11)12/h1-2H2,(H,11,12)
InChI Key:
FLKLWPCROADJHL-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(C(Br)(F)F)(Cl)F
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.911g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.442g/mol
Monoisotopic Mass:
267.911g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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