Home Halogens 4,4,4-Trichlorobutyric acid methyl ester

4,4,4-Trichlorobutyric acid methyl ester

CAS No.:
19376-57-9
Catalog Number:
AG00ANF8
Molecular Formula:
C5H7Cl3O2
Molecular Weight:
205.4669
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Product Description
Catalog Number:
AG00ANF8
Chemical Name:
4,4,4-Trichlorobutyric acid methyl ester
CAS Number:
19376-57-9
Molecular Formula:
C5H7Cl3O2
Molecular Weight:
205.4669
MDL Number:
MFCD28144036
IUPAC Name:
methyl 4,4,4-trichlorobutanoate
InChI:
InChI=1S/C5H7Cl3O2/c1-10-4(9)2-3-5(6,7)8/h2-3H2,1H3
InChI Key:
OTEHQWOCCPLELJ-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(Cl)(Cl)Cl
NSC Number:
299171
Properties
Complexity:
119  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties