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154825-97-5 | Methyl 2-(4-bromophenyl)-2,2-dimethylacetate
CAS No: 154825-97-5 Catalog No: AG0038XA MDL No:MFCD02683357
Product Description
Catalog Number:
AG0038XA
Chemical Name:
Methyl 2-(4-bromophenyl)-2,2-dimethylacetate
CAS Number:
154825-97-5
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD02683357
IUPAC Name:
methyl 2-(4-bromophenyl)-2-methylpropanoate
InChI:
InChI=1S/C11H13BrO2/c1-11(2,10(13)14-3)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChI Key:
JTYDXPPFLQSEAQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1)Br)(C)C
Properties
Complexity:
205
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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