Home Other Building Blocks MECOPROP-2,4,4-TRIMETHYLPENTYLESTER

MECOPROP-2,4,4-TRIMETHYLPENTYLESTER

CAS No.:
217487-13-3
Catalog Number:
AG00BIVW
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00BIVW
Chemical Name:
MECOPROP-2,4,4-TRIMETHYLPENTYLESTER
CAS Number:
217487-13-3
MDL Number:
MFCD00270160
IUPAC Name:
2,4,4-trimethylpentyl 2-(4-chloro-2-methylphenoxy)propanoate
InChI:
InChI=1S/C18H27ClO3/c1-12(10-18(4,5)6)11-21-17(20)14(3)22-16-8-7-15(19)9-13(16)2/h7-9,12,14H,10-11H2,1-6H3
InChI Key:
REWKSMZTTHUJGH-UHFFFAOYSA-N
Properties
Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.165g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.861g/mol
Monoisotopic Mass:
326.165g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3  
Properties