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1256785-64-4 | 6-chloro-5-fluoropyrimidine-4-carboxylic acid
CAS No: 1256785-64-4 Catalog No: AG01FIOJ MDL No:
Product Description
Catalog Number:
AG01FIOJ
Chemical Name:
6-chloro-5-fluoropyrimidine-4-carboxylic acid
CAS Number:
1256785-64-4
Molecular Formula:
C5H2ClFN2O2
Molecular Weight:
176.5330
IUPAC Name:
6-chloro-5-fluoropyrimidine-4-carboxylic acid
InChI:
InChI=1S/C5H2ClFN2O2/c6-4-2(7)3(5(10)11)8-1-9-4/h1H,(H,10,11)
InChI Key:
CTMKNADCFBTSHO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncnc(c1F)Cl
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.979g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.531g/mol
Monoisotopic Mass:
175.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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