AC1L4MH5 structure

AC1L4MH5

ethyl 2-[4-bromo-2-(chloromethyl)phenoxy]acetate;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

Also Known As: (4-Bromo-2-(chloromethyl)phenoxy)acetic acid ethyl ester compound withhexamethylenetetramine (1:1)|Hexamethylenetetramine, compd. with ethyl((4-bromo-alpha-chloro-o-tolyl)oxy)acetate (1:1)|Acetic acid, ((4-bromo-alpha-chloro-o-tolyl)oxy)-, ethyl ester, compd. with hexamethylenetetraamine (1:1)|ethyl[4-bromo-2-(chloromethyl)phenoxy]acetate- 1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane(1:1)|(4-BROMO-2-(CHLOROMETHYL)PHENOXY)ACETIC ACID ETHYL ESTER COMPOUND WITH HEXAMETHYLENETETRAMINE(1:1)|Ethyl [4-bromo-2-(chloromethyl)phenoxy]acetate--1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane (1/1)|Ethyl 2-[4-bromo-2-(chloromethyl)phenoxy]acetate;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

CAS: 19933-44-9
Molecular Formula C17H24BrClN4O3
Molecular Weight 446.07202 g/mol
LogP 2.11
Topological Polar Surface Area 48.5 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 446.07202
Monoisotopic Mass 446.07202
Heavy Atoms 26
Complexity 310.0

Chemical Identifiers

CAS Number 19933-44-9
SMILES CCOC(=O)COC1=C(C=C(C=C1)Br)CCl.C1N2CN3CN1CN(C2)C3
InChIKey PQMLSJUSTYTFFX-UHFFFAOYSA-N

Product Overview

AC1L4MH5 (CAS 19933-44-9), with molecular formula C17H24BrClN4O3 and molecular weight 446.07202 g/mol. IUPAC: ethyl 2-[4-bromo-2-(chloromethyl)phenoxy]acetate;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.

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