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848469-29-4

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Basic Information
CAS No.: 848469-29-4
Name: 3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Molecular Structure:
Molecular Structure of 848469-29-4 (3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol)
Formula: C16H12Cl2F3N5O.HCl
Molecular Weight: 454.67
Synonyms: 4-Pyrimidineethanol,6-chloro-a-[(3-chloro-1H-1,2,4-triazol-1-yl)methyl]-a-(2,4-difluorophenyl)-5-fluoro-b-methyl-, monohydrochloride, (aR,bS)-rel- (9CI);
PSA: 76.72000
LogP: 4.28570
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Specification

The 3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(3-chloro-1H-1,2,4-triazol-1-yl)butan-2-ol hydrochloride, with the CAS registry number 848469-29-4, is also known as 4-pyrimidineethanol, 6-chloro-α-[(3-chloro-1H-1,2,4-triazol-1-yl)methyl]-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-, (αR,βS)-, hydrochloride (1:1). This chemical's molecular formula is C16H12Cl2F3N5O.HCl and molecular weight is 454.67. Its systematic name is called (2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-1-(3-chloro-1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)butan-2-ol hydrochloride (1:1).

You can still convert the following datas into molecular structure:
(1)SMILES: CC(c1c(c(ncn1)Cl)F)C(Cn2cnc(n2)Cl)(c3ccc(cc3F)F)O.Cl
(2)InChI: InChI=1/C16H12Cl2F3N5O.ClH/c1-8(13-12(21)14(17)23-6-22-13)16(27,5-26-7-24-15(18)25-26)10-3-2-9(19)4-11(10)20;/h2-4,6-8,27H,5H2,1H3;1H/t8-,16+;/m0./s1
(3)InChIKey: VTOATALLNGPGSU-AXXYFNQRBS