Home Halogens Benzenepropanoic acid, 5-bromo-.beta.-phenyl-2-(phenylmethoxy)-, methyl ester

Benzenepropanoic acid, 5-bromo-.beta.-phenyl-2-(phenylmethoxy)-, methyl ester

CAS No.:
156755-24-7
Catalog Number:
AG00ABIX
Molecular Formula:
C23H21BrO3
Molecular Weight:
425.3150
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Product Description
Catalog Number:
AG00ABIX
Chemical Name:
Benzenepropanoic acid, 5-bromo-.beta.-phenyl-2-(phenylmethoxy)-, methyl ester
CAS Number:
156755-24-7
Molecular Formula:
C23H21BrO3
Molecular Weight:
425.3150
MDL Number:
MFCD16038976
IUPAC Name:
methyl 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropanoate
InChI:
InChI=1S/C23H21BrO3/c1-26-23(25)15-20(18-10-6-3-7-11-18)21-14-19(24)12-13-22(21)27-16-17-8-4-2-5-9-17/h2-14,20H,15-16H2,1H3
InChI Key:
SXFFQILYKHDSIZ-UHFFFAOYSA-N
SMILES:
COC(=O)CC(c1cc(Br)ccc1OCc1ccccc1)c1ccccc1
Properties
Complexity:
443  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.067g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.322g/mol
Monoisotopic Mass:
424.067g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Properties