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835-08-5 | [(4-chloro-1-naphthyl)oxy]acetic acid
CAS No: 835-08-5 Catalog No: AG00506N MDL No:MFCD06823822
Product Description
Catalog Number:
AG00506N
Chemical Name:
[(4-chloro-1-naphthyl)oxy]acetic acid
CAS Number:
835-08-5
Molecular Formula:
C12H9ClO3
Molecular Weight:
236.6511
MDL Number:
MFCD06823822
IUPAC Name:
2-(4-chloronaphthalen-1-yl)oxyacetic acid
InChI:
InChI=1S/C12H9ClO3/c13-10-5-6-11(16-7-12(14)15)9-4-2-1-3-8(9)10/h1-6H,7H2,(H,14,15)
InChI Key:
MNLRUNHEJYLLBJ-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(c2c1cccc2)Cl
NSC Number:
190653
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.024g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.651g/mol
Monoisotopic Mass:
236.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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