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321-21-1 | 4-Fluoro-2-methylbenzoic acid
CAS No: 321-21-1 Catalog No: AG003LFQ MDL No:MFCD04115880
Product Description
Catalog Number:
AG003LFQ
Chemical Name:
4-Fluoro-2-methylbenzoic acid
CAS Number:
321-21-1
Molecular Formula:
C8H7FO2
Molecular Weight:
154.1384
MDL Number:
MFCD04115880
IUPAC Name:
4-fluoro-2-methylbenzoic acid
InChI:
InChI=1S/C8H7FO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
KDXOONIQRUZGSY-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C)C(=O)O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.14g/mol
Monoisotopic Mass:
154.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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