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71549-01-4 | Sgd 303-75
CAS No: 71549-01-4 Catalog No: AG005GRU MDL No:
Product Description
Catalog Number:
AG005GRU
Chemical Name:
Sgd 303-75
CAS Number:
71549-01-4
Molecular Formula:
C21H25ClO3
Molecular Weight:
360.8744
IUPAC Name:
ethyl 2-[4-[(4-chlorophenyl)methyl]-3-methylphenoxy]-2-methylbutanoate
InChI:
InChI=1S/C21H25ClO3/c1-5-21(4,20(23)24-6-2)25-19-12-9-17(15(3)13-19)14-16-7-10-18(22)11-8-16/h7-13H,5-6,14H2,1-4H3
InChI Key:
XBCGCGQBECXVEL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Oc1ccc(c(c1)C)Cc1ccc(cc1)Cl)(CC)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.149g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.878g/mol
Monoisotopic Mass:
360.149g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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