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88496-59-7 | Butanoic acid, 4,4-dichloro-2-(1-methylethyl)-, methyl ester
CAS No: 88496-59-7 Catalog No: AG0049Q6 MDL No:
Product Description
Catalog Number:
AG0049Q6
Chemical Name:
Butanoic acid, 4,4-dichloro-2-(1-methylethyl)-, methyl ester
CAS Number:
88496-59-7
Molecular Formula:
C8H14Cl2O2
Molecular Weight:
213.1016
IUPAC Name:
methyl 4,4-dichloro-2-propan-2-ylbutanoate
InChI:
InChI=1S/C8H14Cl2O2/c1-5(2)6(4-7(9)10)8(11)12-3/h5-7H,4H2,1-3H3
InChI Key:
YALFYLXVMYJQAQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(C)C)CC(Cl)Cl
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.037g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.098g/mol
Monoisotopic Mass:
212.037g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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