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Home > Fluorides > 1215031-99-4
1215031-99-4 | Benzoic acid, 3-fluoro-5-hydroxy-4-methyl-, methyl ester
CAS No: 1215031-99-4 Catalog No: AG00153A MDL No:MFCD11042808
Product Description
Catalog Number:
AG00153A
Chemical Name:
Benzoic acid, 3-fluoro-5-hydroxy-4-methyl-, methyl ester
CAS Number:
1215031-99-4
Molecular Formula:
C9H9FO3
Molecular Weight:
184.1644
MDL Number:
MFCD11042808
IUPAC Name:
methyl 3-fluoro-5-hydroxy-4-methylbenzoate
InChI:
InChI=1S/C9H9FO3/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4,11H,1-2H3
InChI Key:
XGUDTZGRCCTTMQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)c(c(c1)F)C
Properties
Complexity:
195
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:
1
Isotope Atom Count:
0
Molecular Weight:
184.166g/mol
Monoisotopic Mass:
184.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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