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188416-35-5 | 4-Pyrimidineethanol, 6-chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-
CAS No: 188416-35-5 Catalog No: AG002GWG MDL No:MFCD07772028
Product Description
Catalog Number:
AG002GWG
Chemical Name:
4-Pyrimidineethanol, 6-chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-
CAS Number:
188416-35-5
Molecular Formula:
C16H13ClF3N5O
Molecular Weight:
383.7555
MDL Number:
MFCD07772028
IUPAC Name:
3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol;hydrochloride
InChI:
InChI=1S/C14H12ClF3N2O.ClH/c1-7(12-11(18)13(15)20-6-19-12)14(2,21)9-4-3-8(16)5-10(9)17;/h3-7,21H,1-2H3;1H
InChI Key:
KNFRQNVARBDXRG-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)C(C(c1ncnc(c1F)Cl)C)(Cn1cncn1)O
EC Number:
606-140-4
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.036g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
353.166g/mol
Monoisotopic Mass:
352.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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