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Substance Name: Acetic acid, ((4-bromo-2-(chloromethyl))phenoxy)-, methyl ester, compd. with 1,3,5,7-tetraazatricyclo(3.3.1.1(sup 3,7))decane (1:1)
RN: 16253-49-9
InChIKey: NLCNCHOANNPJFG-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C10-H10-Br-Cl-O3.C6-H12-N4

Molecular Weight

  • 433.732
 
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Names and Synonyms

Synonyms

  • ((4-Bromo-alpha-chloro-o-tolyl)oxy)acetic acid methyl ester, compd. with hexamethylenetetramine (1:1)
  • Hexamethylenetetramine, compd. with methyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1)

Systematic Name

  • Acetic acid, ((4-bromo-2-(chloromethyl))phenoxy)-, methyl ester, compd. with 1,3,5,7-tetraazatricyclo(3.3.1.1(sup 3,7))decane (1:1)

Registry Numbers

CAS Registry Number

  • 16253-49-9

Other Registry Number

  • 40951-18-6

System Generated Number

  • 0016253499

Molecular Formulas

Molecular Formula

  • C10-H10-Br-Cl-O3.C6-H12-N4

Molecular Formula Fragments

  • C10-H10-Br-Cl-O3
  • C6-H12-N4
  • COMPONENT

Structure Descriptors

InChI

1S/C10H10BrClO3.C6H12N4/c1-14-10(13)6-15-9-3-2-8(11)4-7(9)5-12;1-7-2-9-4-8(1)5-10(3-7)6-9/h2-4H,5-6H2,1H3;1-6H2

InChIKey

NLCNCHOANNPJFG-UHFFFAOYSA-N

Smiles

C(=O)(OC)COc1c(cc(cc1)Br)CCl.N12CN3CN(CN(C2)C3)C1