Methyl 4-Bromo-2-chlorobenzoate - CAS 185312-82-7

Name: Methyl 4-Bromo-2-chlorobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB014220
Product Name:	Methyl 4-Bromo-2-chlorobenzoate
CAS:	185312-82-7
Synonyms:	4-bromo-2-chlorobenzoic acid methyl ester; methyl 4-bromo-2-chlorobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-bromo-2-chlorobenzoate
Description:	Methyl 4-Bromo-2-chlorobenzoate (CAS# 185312-82-7) is a useful research chemical.
Molecular Weight:	249.49
Molecular Formula:	C8H6BrClO2
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1)Br)Cl
InChI:	InChI=1S/C8H6BrClO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3
InChI Key:	JSNXIWYWUKTWAX-UHFFFAOYSA-N
Boiling Point:	295.117 °C at 760 mmHg
Density:	1.605 g/cm³
LogP:	2.88910

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Related Functional Groups

Carbonyl Compounds

[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1016519-61-1]C8H10N2O2
2-(Methyl-2-pyridylamino)acetic Acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
KR-20210081285-A	Novel Amide Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2	20191223
WO-2021133038-A1	Novel amide derivative useful as diacylglycerol acyltransferase 2 inhibitor, and use thereof	20191223
WO-2021126729-A1	Prmt5 inhibitors	20191217
WO-2021068950-A1	Amide compound and medical use thereof as sting inhibitor	20191012
US-2021147398-A1	Novel lxr modulators with bicyclic core moiety	20180628

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.92397
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.92397
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1