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884494-57-9 | 5-Chloro-2-fluoronicotinic acid
CAS No: 884494-57-9 Catalog No: AG003MML MDL No:MFCD04112518
Product Description
Catalog Number:
AG003MML
Chemical Name:
5-Chloro-2-fluoronicotinic acid
CAS Number:
884494-57-9
Molecular Formula:
C6H3ClFNO2
Molecular Weight:
175.5449
MDL Number:
MFCD04112518
IUPAC Name:
5-chloro-2-fluoropyridine-3-carboxylic acid
InChI:
InChI=1S/C6H3ClFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
InChI Key:
TYSZXBYTBZUZQB-UHFFFAOYSA-N
SMILES:
Clc1cnc(c(c1)C(=O)O)F
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.543g/mol
Monoisotopic Mass:
174.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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