Methyl 4-Bromo-2-cyanobenzoate - CAS 1223434-15-8

Catalog:	BB059907
Product Name:	Methyl 4-Bromo-2-cyanobenzoate
CAS:	1223434-15-8
Synonyms:	METHYL 4-BROMO-2-CYANOBENZOATE; Benzoic acid, 4-bromo-2-cyano-, methyl ester; METHYL4-BROMO-2-CYANOBENZOATE

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-bromo-2-cyanobenzoate
Description:	methyl 4-bromo-2-cyanobenzoate (cas# 1223434-15-8) is a useful research chemical.
Molecular Weight:	240.05
Molecular Formula:	C9H6NO2Br
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1)Br)C#N
InChI:	InChI=1S/C9H6BrNO2/c1-13-9(12)8-3-2-7(10)4-6(8)5-11/h2-4H,1H3
InChI Key:	APAVVMSHHACFQV-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2022047145-A1	Rapidly accelerating fibrosarcoma protein degrading compounds and associated methods of use	20200828
TW-202045491-A	Azole derivatives	20190220
WO-2020171146-A1	Azole derivative	20190220
AU-2018249675-A1	New compounds inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma.	20170406
CN-110709396-A	Novel compound inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma	20170406
EP-3606921-A1	New compounds inhibitors of the yap/taz-tead interaction and their use in the treatment of malignant mesothelioma.	20170406
KR-20190137803-A	Novel compounds that are inhibitors of BPA / TAA-TEAD interactions and their use in the treatment of malignant mesothelioma	20170406
US-2020115353-A1	New compounds inhibitors of the yap/taz-tead interaction and their use in the treatment of malignant mesothelioma	20170406
WO-2018185266-A1	New compounds inhibitors of the yap/taz-tead interaction and their use in the treatment of malignant mesothelioma.	20170406
AU-2018215212-A1	Cereblon ligands and bifunctional compounds comprising the same	20170131

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.95819
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	238.95819
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2