Home Halogens 2-(3-chloronaphthalen-1-yl)acetic acid

2-(3-chloronaphthalen-1-yl)acetic acid

CAS No.:
58926-36-6
Catalog Number:
AG01AURJ
Molecular Formula:
C12H9ClO2
Molecular Weight:
220.6517
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Product Description
Catalog Number:
AG01AURJ
Chemical Name:
2-(3-chloronaphthalen-1-yl)acetic acid
CAS Number:
58926-36-6
Molecular Formula:
C12H9ClO2
Molecular Weight:
220.6517
MDL Number:
MFCD18411266
IUPAC Name:
2-(3-chloronaphthalen-1-yl)acetic acid
InChI:
InChI=1S/C12H9ClO2/c13-10-5-8-3-1-2-4-11(8)9(6-10)7-12(14)15/h1-6H,7H2,(H,14,15)
InChI Key:
QYUWUJXXOVFMFA-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(Cl)cc2c1cccc2
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.029g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.652g/mol
Monoisotopic Mass:
220.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties