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89294-73-5 | Propanoic acid, 3-bromo-2,2-dichloro-, methyl ester
CAS No: 89294-73-5 Catalog No: AG004060 MDL No:
Product Description
Catalog Number:
AG004060
Chemical Name:
Propanoic acid, 3-bromo-2,2-dichloro-, methyl ester
CAS Number:
89294-73-5
Molecular Formula:
C4H5BrCl2O2
Molecular Weight:
235.8913
IUPAC Name:
methyl 3-bromo-2,2-dichloropropanoate
InChI:
InChI=1S/C4H5BrCl2O2/c1-9-3(8)4(6,7)2-5/h2H2,1H3
InChI Key:
AUHZFXMFSGANDP-UHFFFAOYSA-N
SMILES:
BrCC(C(=O)OC)(Cl)Cl
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.885g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.886g/mol
Monoisotopic Mass:
233.885g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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