Methyl 3-Bromo-5-fluoro-2-methylbenzoate - CAS 1187318-53-1

Catalog:	BB004247
Product Name:	Methyl 3-Bromo-5-fluoro-2-methylbenzoate
CAS:	1187318-53-1
Synonyms:	3-bromo-5-fluoro-2-methylbenzoic acid methyl ester; methyl 3-bromo-5-fluoro-2-methylbenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 3-bromo-5-fluoro-2-methylbenzoate
Description:	Methyl 3-Bromo-5-fluoro-2-methylbenzoate (CAS# 1187318-53-1) is a useful research chemical.
Molecular Weight:	247.06
Molecular Formula:	C9H8BrFO2
Canonical SMILES:	CC1=C(C=C(C=C1C(=O)OC)F)Br
InChI:	InChI=1S/C9H8BrFO2/c1-5-7(9(12)13-2)3-6(11)4-8(5)10/h3-4H,1-2H3
InChI Key:	SHONDVRWLQICAZ-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.68320

Publication Number	Title	Priority Date
US-2020148663-A1	Substituted isoindolinones	20181113
WO-2020102195-A1	Substituted isoindolinones	20181113
TW-202031641-A	Substituted isoindolinones	20181113
US-10844039-B2	Substituted isoindolinones	20181113
US-2020325114-A1	Substituted isoindolinones	20181113

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.96917
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	245.96917
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9