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394-42-3 | 2-Fluoro-4-methoxybenzoic acid
CAS No: 394-42-3 Catalog No: AG003H9G MDL No:MFCD00509373
Product Description
Catalog Number:
AG003H9G
Chemical Name:
2-Fluoro-4-methoxybenzoic acid
CAS Number:
394-42-3
Molecular Formula:
C8H7FO3
Molecular Weight:
170.1378
MDL Number:
MFCD00509373
IUPAC Name:
2-fluoro-4-methoxybenzoic acid
InChI:
InChI=1S/C8H7FO3/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
InChI Key:
UPWMPIKNUXTWFP-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)F)C(=O)O
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:
1.9
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