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Home > Fluorides > 230301-81-2
230301-81-2 | Benzoic acid, 3-fluoro-2-methyl-, methyl ester
CAS No: 230301-81-2 Catalog No: AG002LXG MDL No:
Product Description
Catalog Number:
AG002LXG
Chemical Name:
Benzoic acid, 3-fluoro-2-methyl-, methyl ester
CAS Number:
230301-81-2
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
IUPAC Name:
methyl 3-fluoro-2-methylbenzoate
InChI:
InChI=1S/C9H9FO2/c1-6-7(9(11)12-2)4-3-5-8(6)10/h3-5H,1-2H3
InChI Key:
ZNIXEVSMQRBBEM-UHFFFAOYSA-N
SMILES:
Cc1c(cccc1F)C(=O)OC
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.167g/mol
Monoisotopic Mass:
168.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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