2-bromolauric acid

Compound Structure:

Synonyms:

2-Bromododecanoic acid;111-56-8;2-Bromolauric acid;Dodecanoic acid, 2-bromo-;2-bromo-dodecanoic acid;2-Bromododecanoicacid;.alpha.-Bromolauric acid;alpha-Bromolauric;2-Bromododecanoate;alpha-Bromolauric acid;bromododecanoic acid

Compound ID:

NMPC-221

PubChem ID:

66980

Molecular Formula:

C12H23BrO2

Canonical SMILES:

CCCCCCCCCCC(C(=O)O)Br

InChIKey:

HXKXBCBZXXQPPD-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	279.21 g/mol
XLogP3-AA	5.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	10
Exact Mass	278.08814 g/mol
Monoisotopic Mass	278.08814 g/mol
Topological Polar Surface Area	37.3Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	160
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Hippocratea indica

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