200,000+ products from a single source!
sales@angenechem.com
119060-48-9 | Butanoic acid, 4,4,4-trichloro-, 1,1-dimethylethyl ester
CAS No: 119060-48-9 Catalog No: AG000I4N MDL No:MFCD00101200
Product Description
Catalog Number:
AG000I4N
Chemical Name:
Butanoic acid, 4,4,4-trichloro-, 1,1-dimethylethyl ester
CAS Number:
119060-48-9
Molecular Formula:
C8H13Cl3O2
Molecular Weight:
247.5466
MDL Number:
MFCD00101200
IUPAC Name:
tert-butyl 4,4,4-trichlorobutanoate
InChI:
InChI=1S/C8H13Cl3O2/c1-7(2,3)13-6(12)4-5-8(9,10)11/h4-5H2,1-3H3
InChI Key:
YEMUJFOOIIUEGT-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CCC(Cl)(Cl)Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.998g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.54g/mol
Monoisotopic Mass:
245.998g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.