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870221-14-0 | 2-Fluoro-5-hydroxy-4-methylbenzoic acid
CAS No: 870221-14-0 Catalog No: AG004K31 MDL No:MFCD19440271
Product Description
Catalog Number:
AG004K31
Chemical Name:
2-Fluoro-5-hydroxy-4-methylbenzoic acid
CAS Number:
870221-14-0
Molecular Formula:
C8H7FO3
Molecular Weight:
170.1378
MDL Number:
MFCD19440271
IUPAC Name:
2-fluoro-5-hydroxy-4-methylbenzoic acid
InChI:
InChI=1S/C8H7FO3/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3,10H,1H3,(H,11,12)
InChI Key:
HHMKFYPHQRSEPC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(O)c(cc1F)C
Properties
Complexity:
183
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:
2
Isotope Atom Count:
0
Molecular Weight:
170.139g/mol
Monoisotopic Mass:
170.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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