Home Halogens methyl 4-bromo-2-phenylbutanoate

methyl 4-bromo-2-phenylbutanoate

CAS No.:
6837-00-9
Catalog Number:
AG01C43I
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
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Product Description
Catalog Number:
AG01C43I
Chemical Name:
methyl 4-bromo-2-phenylbutanoate
CAS Number:
6837-00-9
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD24857395
IUPAC Name:
methyl 4-bromo-2-phenylbutanoate
InChI:
InChI=1S/C11H13BrO2/c1-14-11(13)10(7-8-12)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChI Key:
UDINMLIFCVXPIE-UHFFFAOYSA-N
SMILES:
BrCCC(c1ccccc1)C(=O)OC
Properties
Complexity:
176  
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:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties