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1260827-00-6 | 5-Pyrimidinecarboxylic acid, 2-chloro-4-(difluoromethyl)-
CAS No: 1260827-00-6 Catalog No: AG000RE7 MDL No:
Product Description
Catalog Number:
AG000RE7
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-chloro-4-(difluoromethyl)-
CAS Number:
1260827-00-6
Molecular Formula:
C6H3ClF2N2O2
Molecular Weight:
208.5500
IUPAC Name:
2-chloro-4-(difluoromethyl)pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C6H3ClF2N2O2/c7-6-10-1-2(5(12)13)3(11-6)4(8)9/h1,4H,(H,12,13)
InChI Key:
XWKAETLDPYYHPJ-UHFFFAOYSA-N
SMILES:
FC(c1nc(Cl)ncc1C(=O)O)F
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.985g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.549g/mol
Monoisotopic Mass:
207.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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