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147345-36-6 | Butanoic acid, 4-bromo-4,4-difluoro-
CAS No: 147345-36-6 Catalog No: AG001ETE MDL No:
Product Description
Catalog Number:
AG001ETE
Chemical Name:
Butanoic acid, 4-bromo-4,4-difluoro-
CAS Number:
147345-36-6
Molecular Formula:
C4H5BrF2O2
Molecular Weight:
202.9821
IUPAC Name:
4-bromo-4,4-difluorobutanoic acid
InChI:
InChI=1S/C4H5BrF2O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9)
InChI Key:
YAIWEWFNTHJMTH-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(Br)(F)F
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.944g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.983g/mol
Monoisotopic Mass:
201.944g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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