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100282-53-9 | Butanoic acid, 4-chloro-2,2-dimethyl-, methyl ester
CAS No: 100282-53-9 Catalog No: AG0001GX MDL No:
Product Description
Catalog Number:
AG0001GX
Chemical Name:
Butanoic acid, 4-chloro-2,2-dimethyl-, methyl ester
CAS Number:
100282-53-9
Molecular Formula:
C7H13ClO2
Molecular Weight:
164.6299
IUPAC Name:
methyl 4-chloro-2,2-dimethylbutanoate
InChI:
InChI=1S/C7H13ClO2/c1-7(2,4-5-8)6(9)10-3/h4-5H2,1-3H3
InChI Key:
BLEBDPHVIQVQJJ-UHFFFAOYSA-N
SMILES:
ClCCC(C(=O)OC)(C)C
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.06g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.629g/mol
Monoisotopic Mass:
164.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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