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89294-79-1 | Butanoic acid, 2,2,3-trichloro-, methyl ester
CAS No: 89294-79-1 Catalog No: AG0040X0 MDL No:
Product Description
Catalog Number:
AG0040X0
Chemical Name:
Butanoic acid, 2,2,3-trichloro-, methyl ester
CAS Number:
89294-79-1
Molecular Formula:
C5H7Cl3O2
Molecular Weight:
205.4669
IUPAC Name:
methyl 2,2,3-trichlorobutanoate
InChI:
InChI=1S/C5H7Cl3O2/c1-3(6)5(7,8)4(9)10-2/h3H,1-2H3
InChI Key:
HDRHUZANEWXVRF-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(Cl)C)(Cl)Cl
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.951g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.459g/mol
Monoisotopic Mass:
203.951g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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