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1174321-06-2 | 2-Pyrazinecarboxylic acid, 5-(difluoromethyl)-
CAS No: 1174321-06-2 Catalog No: AG000EB0 MDL No:MFCD20640530
Product Description
Catalog Number:
AG000EB0
Chemical Name:
2-Pyrazinecarboxylic acid, 5-(difluoromethyl)-
CAS Number:
1174321-06-2
Molecular Formula:
C6H4F2N2O2
Molecular Weight:
174.1050
MDL Number:
MFCD20640530
IUPAC Name:
5-(difluoromethyl)pyrazine-2-carboxylic acid
InChI:
InChI=1S/C6H4F2N2O2/c7-5(8)3-1-10-4(2-9-3)6(11)12/h1-2,5H,(H,11,12)
InChI Key:
UYWJPTNAOQSWOS-UHFFFAOYSA-N
SMILES:
FC(c1ncc(nc1)C(=O)O)F
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.107g/mol
Monoisotopic Mass:
174.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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