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156020-85-8

156020-85-8 | Cyclopropanecarboxylic acid, 2,2-difluoro-1-phenyl-, ethyl ester

CAS No: 156020-85-8 Catalog No: AG001OG7 MDL No:

Product Description

Catalog Number:
AG001OG7
Chemical Name:
Cyclopropanecarboxylic acid, 2,2-difluoro-1-phenyl-, ethyl ester
CAS Number:
156020-85-8
Molecular Formula:
C12H12F2O2
Molecular Weight:
226.2193
IUPAC Name:
ethyl 2,2-difluoro-1-phenylcyclopropane-1-carboxylate
InChI:
InChI=1S/C12H12F2O2/c1-2-16-10(15)11(8-12(11,13)14)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key:
BDYFJGWRKYDYIZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC1(F)F)c1ccccc1

Properties

Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.081g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.223g/mol
Monoisotopic Mass:
226.081g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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