Methyl 2-fluoro-4-formylbenzoate - CAS 85070-58-2

Catalog:	BB059699
Product Name:	Methyl 2-fluoro-4-formylbenzoate
CAS:	85070-58-2
Synonyms:	Methyl 2-fluoro-4-formylbenzoate; Benzoic acid, 2-fluoro-4-formyl-, methyl ester; Methyl2-fluoro-4-formylbenzoate; methyl 2-fluoro-4-formyl-benzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-fluoro-4-formylbenzoate
Description:	Methyl 2-fluoro-4-formylbenzoate
Molecular Weight:	182.15
Molecular Formula:	C9H7FO3
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1)C=O)F
InChI:	InChI=1S/C9H7FO3/c1-13-9(12)7-3-2-6(5-11)4-8(7)10/h2-5H,1H3
InChI Key:	CFMGPKZYEUOERS-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2021244634-A1	Imidazopyridine compound and use thereof	20200605
WO-2021170797-A1	PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS	20200226
WO-2020178316-A1	5- or 7-azaindazoles as beta-lactamase inhibitors	20190305
US-2021017183-A1	Traf 6 inhibitors	20180322
AU-2018250599-A1	HDAC6 inhibitors and imaging agents	20170411
CA-3059881-A1	Hdac6 inhibitors and imaging agents	20170411
CN-110770206-A	HDAC6 inhibitors and imaging agents	20170411
EP-3609864-A1	Hdac6 inhibitors and imaging agents	20170411
JP-2020516628-A	HDAC6 inhibitor and contrast agent	20170411
US-2020054773-A1	HDAC6 Inhibitors and Imaging Agents	20170411

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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:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.03792224
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.03792224
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3