Home Carboxys 1-Naphthalenecarboxylic acid, 4-fluoro-, methyl ester

1-Naphthalenecarboxylic acid, 4-fluoro-, methyl ester

CAS No.:
13772-56-0
Catalog Number:
AG0013RI
Molecular Formula:
C12H9FO2
Molecular Weight:
204.1971
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Product Description
Catalog Number:
AG0013RI
Chemical Name:
1-Naphthalenecarboxylic acid, 4-fluoro-, methyl ester
CAS Number:
13772-56-0
Molecular Formula:
C12H9FO2
Molecular Weight:
204.1971
MDL Number:
MFCD12025244
IUPAC Name:
methyl 4-fluoronaphthalene-1-carboxylate
InChI:
InChI=1S/C12H9FO2/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7H,1H3
InChI Key:
BGKRQQWFGKBQFV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c2c1cccc2)F
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.059g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.2g/mol
Monoisotopic Mass:
204.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties