(E)-3-Bromoacrylic Acid - CAS 6213-89-4

Catalog:	BB031432
Product Name:	(E)-3-Bromoacrylic Acid
CAS:	6213-89-4
Synonyms:	(E)-3-bromo-2-propenoic acid; (E)-3-bromoprop-2-enoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	(E)-3-bromoprop-2-enoic acid
Description:	(E)-3-Bromoacrylic Acid (CAS# 6213-89-4) is a useful research chemical.
Molecular Weight:	150.96
Molecular Formula:	C3H3BrO2
Canonical SMILES:	C(=CBr)C(=O)O
InChI:	InChI=1S/C3H3BrO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+
InChI Key:	POAWTYXNXPEWCO-OWOJBTEDSA-N
LogP:	0.97960

Publication Number	Title	Priority Date
CA-3108168-A1	Conjugates of cell-binding molecules with cytotoxic agents	20200205
EP-3862023-A1	Conjugates of cell-binding molecules with cytotoxic agents	20200205
WO-2020258893-A1	A formulation of a conjugate of a tubulysin analog to a cell-binding molecule	20190624
TW-202041237-A	A conjugate of a tubulysin analog with branched linkers	20190503
AU-2017445144-A1	A conjugate of a tubulysin analog with branched linkers	20171231

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Complexity:	76.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	149.93164
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	149.93164
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7