200,000+ products from a single source!
sales@angenechem.com
71548-86-2 | Butanoic acid,2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-,(2,2-dimethyl-1-oxopropoxy)methyl ester
CAS No: 71548-86-2 Catalog No: AG005GRW MDL No:
Product Description
Catalog Number:
AG005GRW
Chemical Name:
Butanoic acid,2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-,(2,2-dimethyl-1-oxopropoxy)methyl ester
CAS Number:
71548-86-2
Molecular Formula:
C24H29ClO5
Molecular Weight:
432.9371
IUPAC Name:
2,2-dimethylpropanoyloxymethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate
InChI:
InChI=1S/C24H29ClO5/c1-6-24(5,22(27)29-16-28-21(26)23(2,3)4)30-20-13-9-18(10-14-20)15-17-7-11-19(25)12-8-17/h7-14H,6,15-16H2,1-5H3
InChI Key:
PYMOLQAHVLEXQQ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OCOC(=O)C(C)(C)C)(Oc1ccc(cc1)Cc1ccc(cc1)Cl)C
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.17g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.941g/mol
Monoisotopic Mass:
432.17g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.