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214822-96-5 | Methyl 4-fluoro-3-hydroxybenzoate
CAS No: 214822-96-5 Catalog No: AG003RV8 MDL No:MFCD06797457
Product Description
Catalog Number:
AG003RV8
Chemical Name:
Methyl 4-fluoro-3-hydroxybenzoate
CAS Number:
214822-96-5
Molecular Formula:
C8H7FO3
Molecular Weight:
170.1378
MDL Number:
MFCD06797457
IUPAC Name:
methyl 4-fluoro-3-hydroxybenzoate
InChI:
InChI=1S/C8H7FO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3
InChI Key:
CUGWNEOTLGLGDG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)O)F
EC Number:
606-779-9
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.139g/mol
Monoisotopic Mass:
170.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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