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1226808-72-5

1226808-72-5 | Benzeneacetic acid, 5-bromo-α,α-difluoro-2-methyl-, ethyl ester

CAS No: 1226808-72-5 Catalog No: AG0017N0 MDL No:MFCD16295090

Product Description

Catalog Number:
AG0017N0
Chemical Name:
Benzeneacetic acid, 5-bromo-α,α-difluoro-2-methyl-, ethyl ester
CAS Number:
1226808-72-5
Molecular Formula:
C11H11BrF2O2
Molecular Weight:
293.1046
MDL Number:
MFCD16295090
IUPAC Name:
ethyl 2-(5-bromo-2-methylphenyl)-2,2-difluoroacetate
InChI:
InChI=1S/C11H11BrF2O2/c1-3-16-10(15)11(13,14)9-6-8(12)5-4-7(9)2/h4-6H,3H2,1-2H3
InChI Key:
BPPFUEMXTDPKSJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1cc(Br)ccc1C)(F)F

Properties

Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.991g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.108g/mol
Monoisotopic Mass:
291.991g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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