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1415559-59-9 | 1-Naphthaleneacetic acid, 4-fluoro-α-methyl-
CAS No: 1415559-59-9 Catalog No: AG001GKN MDL No:MFCD13180626
Product Description
Catalog Number:
AG001GKN
Chemical Name:
1-Naphthaleneacetic acid, 4-fluoro-α-methyl-
CAS Number:
1415559-59-9
Molecular Formula:
C13H11FO2
Molecular Weight:
218.2236
MDL Number:
MFCD13180626
IUPAC Name:
2-(4-fluoronaphthalen-1-yl)propanoic acid
InChI:
InChI=1S/C13H11FO2/c1-8(13(15)16)9-6-7-12(14)11-5-3-2-4-10(9)11/h2-8H,1H3,(H,15,16)
InChI Key:
IMYJLWBXEMLBIB-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(c2c1cccc2)F)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.227g/mol
Monoisotopic Mass:
218.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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