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3-(3,5-Dibromophenyl)propionic acid

3-(3,5-Dibromophenyl)propionic acid - CAS 923977-15-5

Catalog:	BB040504
Product Name:	3-(3,5-Dibromophenyl)propionic acid
CAS:	923977-15-5
Synonyms:	3-(3,5-dibromophenyl)propanoic acid

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Computed Properties

IUPAC Name:	3-(3,5-dibromophenyl)propanoic acid
Description:	3-(3,5-Dibromophenyl)propionic acid (CAS# 923977-15-5) is used a reactant in the coupling of supramolecular exo-functionalized palladium cages to peptides for biomedical applications.
Molecular Weight:	307.97
Molecular Formula:	C9H8Br2O2
Canonical SMILES:	C1=C(C=C(C=C1Br)Br)CCC(=O)O
InChI:	InChI=1S/C9H8Br2O2/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5H,1-2H2,(H,12,13)
InChI Key:	AMKWPMUHANVQSZ-UHFFFAOYSA-N
LogP:	3.22880

Publication Number	Title	Priority Date
JP-2019532021-A	Cyclic peptides as C5a receptor antagonists	20160729
AU-2016381336-A1	Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists	20151230
AU-2015345943-A1	Substituted aromatic compounds and pharmaceutical compositions for tissue self-repair and regeneration	20141112
AU-2015345943-B2	Substituted aromatic compounds and pharmaceutical compositions for tissue self-repair and regeneration	20141112
CA-2967499-A1	Substituted aromatic compounds and pharmaceutical compositions for tissue self-repair and regeneration	20141112

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	307.88706
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	305.88910
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1