Home Halogens 3-(2-chlorophenyl)-2-methylbutanoic acid

3-(2-chlorophenyl)-2-methylbutanoic acid

CAS No.:
1515654-42-8
Catalog Number:
AG01DVHN
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
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Product Description
Catalog Number:
AG01DVHN
Chemical Name:
3-(2-chlorophenyl)-2-methylbutanoic acid
CAS Number:
1515654-42-8
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
MDL Number:
MFCD24024893
IUPAC Name:
3-(2-chlorophenyl)-2-methylbutanoic acid
InChI:
InChI=1S/C11H13ClO2/c1-7(8(2)11(13)14)9-5-3-4-6-10(9)12/h3-8H,1-2H3,(H,13,14)
InChI Key:
WQGSXFUVZRRGLX-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(c1ccccc1Cl)C)C
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.06g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.673g/mol
Monoisotopic Mass:
212.06g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties