Methyl 12-Bromododecanoate - CAS 26825-95-6

Catalog:	BB019371
Product Name:	Methyl 12-Bromododecanoate
CAS:	26825-95-6
Synonyms:	12-bromododecanoic acid methyl ester; methyl 12-bromododecanoate

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Computed Properties

IUPAC Name:	methyl 12-bromododecanoate
Description:	Methyl 12-Bromododecanoate (CAS# 26825-95-6) is a useful research chemical.
Molecular Weight:	293.24
Molecular Formula:	C13H25BrO2
Canonical SMILES:	COC(=O)CCCCCCCCCCCBr
InChI:	InChI=1S/C13H25BrO2/c1-16-13(15)11-9-7-5-3-2-4-6-8-10-12-14/h2-12H2,1H3
InChI Key:	QNXOHINFQALBQN-UHFFFAOYSA-N
LogP:	4.45530

Publication Number	Title	Priority Date
WO-2020061367-A1	Compounds and compositions for intracellular delivery of therapeutic agents	20180919
EP-3638678-A1	Compounds and compositions for intracellular delivery of agents	20170614
WO-2018232120-A1	Compounds and compositions for intracellular delivery of agents	20170614
US-2021198200-A1	Compounds and compositions for intracellular delivery of agents	20170614
AU-2018234692-A1	Compounds and compositions for intracellular delivery of therapeutic agents	20170315

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	292.10379
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	292.10379
Rotatable Bond Count:	12
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.1