Home Halogens methyl 2-bromo-3-(4-methylphenyl)propanoate

methyl 2-bromo-3-(4-methylphenyl)propanoate

CAS No.:
7141-88-0
Catalog Number:
AG01BGE7
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
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Product Description
Catalog Number:
AG01BGE7
Chemical Name:
methyl 2-bromo-3-(4-methylphenyl)propanoate
CAS Number:
7141-88-0
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD11559349
IUPAC Name:
methyl 2-bromo-3-(4-methylphenyl)propanoate
InChI:
InChI=1S/C11H13BrO2/c1-8-3-5-9(6-4-8)7-10(12)11(13)14-2/h3-6,10H,7H2,1-2H3
InChI Key:
GMIBCAWRTDYVQI-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1ccc(cc1)C)Br
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties