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Home > Fluorides > 1007455-29-9
1007455-29-9 | Benzoic acid, 6-cyano-2-fluoro-3-methoxy-, methyl ester
CAS No: 1007455-29-9 Catalog No: AG0002RI MDL No:
Product Description
Catalog Number:
AG0002RI
Chemical Name:
Benzoic acid, 6-cyano-2-fluoro-3-methoxy-, methyl ester
CAS Number:
1007455-29-9
Molecular Formula:
C10H8FNO3
Molecular Weight:
209.1738
IUPAC Name:
methyl 6-cyano-2-fluoro-3-methoxybenzoate
InChI:
InChI=1S/C10H8FNO3/c1-14-7-4-3-6(5-12)8(9(7)11)10(13)15-2/h3-4H,1-2H3
InChI Key:
DUGMFBQBMPPEBQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C#N)ccc(c1F)OC
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.176g/mol
Monoisotopic Mass:
209.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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