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178747-79-0

178747-79-0 | Benzoic acid, 2-fluoro-6-methoxy-, methyl ester

CAS No: 178747-79-0 Catalog No: AG0026AD MDL No:MFCD03788537

Product Description

Catalog Number:
AG0026AD
Chemical Name:
Benzoic acid, 2-fluoro-6-methoxy-, methyl ester
CAS Number:
178747-79-0
Molecular Formula:
C9H9FO3
Molecular Weight:
184.1644
MDL Number:
MFCD03788537
IUPAC Name:
methyl 2-fluoro-6-methoxybenzoate
InChI:
InChI=1S/C9H9FO3/c1-12-7-5-3-4-6(10)8(7)9(11)13-2/h3-5H,1-2H3
InChI Key:
WOKPPDUGASITJX-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)cccc1OC

Properties

Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.054g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.166g/mol
Monoisotopic Mass:
184.054g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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