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Home> Hot Product Listed M   > MOLPORT-002-082-957
88474-31-1 structure

MOLPORT-002-082-957

Iupac Name:4-chloro-6-methoxy-2-methylpyrimidin-5-amine
CAS No.:88474-31-1
Molecular Weight:173.6
Molecular Formula:C22H21N5O2S (isomer)
Names and Identifiers
Synonyms

(4-(tert-butyl)phenyl)(4-(phenylsulfonyl)piperidin-1-yl)methanone 4-(benzenesulfonyl)-1-(4-tert-butylbenzoyl)piperidine AKOS024563641 F6441-2499 MCULE-4462005232 ZINC39307244

Inchi
InChI=1S/C6H8ClN3O/c1-3-9-5(7)4(8)6(10-3)11-2/h8H2,1-2H3
InChkey
XOPAFBPYRUSQNI-UHFFFAOYSA-N
Canonical Smiles
CC1=NC(=C(C(=N1)Cl)N)OC
Properties
HS Code
2933599090
Computational chemical data
  • Molecular Weight:173.6g/mol
  • Molecular Formula:C22H21N5O2S
  • Compound Is Canonicalized:True
  • Exact Mass:173.036
  • Monoisotopic Mass:173.036
  • Complexity:135
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:61A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjIAAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgIQAAAACAqBkyID1JZIFACg AAZgZACAiCkBNKABECA1XhCGTABEaEgVBCgKAArAICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-571-89925085
  • Fax:86-571-89925065
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  • Fax:1-631-6147828
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