Methyl 4-bromo-3-(bromomethyl)benzoate - CAS 142031-67-2

Catalog:	BB059827
Product Name:	Methyl 4-bromo-3-(bromomethyl)benzoate
CAS:	142031-67-2
Synonyms:	Methyl 4-bromo-3-(bromomethyl)benzoate; 4-BROMO-3-BROMOMETHYL-BENZOIC ACID METHYL ESTER; Benzoic acid, 4-bromo-3-(bromomethyl)-, methyl ester; methyl 4-bromo-3-bromomethylbenzoate

Technical Data

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Patents

Computed Properties

IUPAC Name:	methyl 4-bromo-3-(bromomethyl)benzoate
Description:	Methyl 4-bromo-3-(bromomethyl)benzoate
Molecular Weight:	307.97
Molecular Formula:	C9H8Br2O2
Canonical SMILES:	COC(=O)C1=CC(=C(C=C1)Br)CBr
InChI:	InChI=1S/C9H8Br2O2/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4H,5H2,1H3
InChI Key:	GRJDNFSKEWOMIM-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2021155316-A1	Compounds and uses thereof	20200129
WO-2021143924-A1	Boric acid derivative	20200119
WO-2021021979-A2	Hdac6 inhibitors and uses thereof	20190730
EP-3632908-A1	Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer	20181002
WO-2020070181-A1	Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer	20181002
AU-2019352009-A1	Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer	20181002
CA-3114375-A1	Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer	20181002
CN-113039182-A	Inhibitors of YAP/TAZ-TEAD interaction and their use in cancer treatment	20181002
EP-3860990-A1	Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer	20181002
KR-20210072001-A	Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer	20181002

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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:	185
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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	305.8891
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3