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1358805-21-6 | 2-[1-(3-Chlorophenyl)cyclobutyl]acetic acid
CAS No: 1358805-21-6 Catalog No: AG01FAY3 MDL No:
Product Description
Catalog Number:
AG01FAY3
Chemical Name:
2-[1-(3-Chlorophenyl)cyclobutyl]acetic acid
CAS Number:
1358805-21-6
Molecular Formula:
C12H13ClO2
Molecular Weight:
224.6834
IUPAC Name:
2-[1-(3-chlorophenyl)cyclobutyl]acetic acid
InChI:
InChI=1S/C12H13ClO2/c13-10-4-1-3-9(7-10)12(5-2-6-12)8-11(14)15/h1,3-4,7H,2,5-6,8H2,(H,14,15)
InChI Key:
ONFIRHRJQGMCBR-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(CCC1)c1cccc(c1)Cl
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.684g/mol
Monoisotopic Mass:
224.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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