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394-04-7 | 5-Fluoro-2-methoxybenzoic acid
CAS No: 394-04-7 Catalog No: AG00349O MDL No:MFCD00671765
Product Description
Catalog Number:
AG00349O
Chemical Name:
5-Fluoro-2-methoxybenzoic acid
CAS Number:
394-04-7
Molecular Formula:
C8H7FO3
Molecular Weight:
170.1378
MDL Number:
MFCD00671765
IUPAC Name:
5-fluoro-2-methoxybenzoic acid
InChI:
InChI=1S/C8H7FO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
WPXFJBPJUGMYOD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)O)F
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:
2.1
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