Methyl 2-Bromo-3-methylbenzoate - CAS 131001-86-0

Catalog:	BB007221
Product Name:	Methyl 2-Bromo-3-methylbenzoate
CAS:	131001-86-0
Synonyms:	2-bromo-3-methylbenzoic acid methyl ester; methyl 2-bromo-3-methylbenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-bromo-3-methylbenzoate
Description:	Methyl 2-Bromo-3-methylbenzoate (CAS# 131001-86-0) is a useful research chemical.
Molecular Weight:	229.07
Molecular Formula:	C9H9BrO2
Canonical SMILES:	CC1=CC=CC(=C1Br)C(=O)OC
InChI:	InChI=1S/C9H9BrO2/c1-6-4-3-5-7(8(6)10)9(11)12-2/h3-5H,1-2H3
InChI Key:	QAOFGUXVDAZKBW-UHFFFAOYSA-N
Boiling Point:	267.4 °C at 760 mmHg
Density:	1.433 g/cm³
MDL:	MFCD00144762
LogP:	2.54410

Publication Number	Title	Priority Date
CN-113185404-A	1, 2-biaxial chiral biaryl compound and preparation method and application thereof	20210430
CN-111662158-A	Preparation method of axial chiral biaryl compound and chiral fluorenol compound	20200630
CN-111662158-B	Preparation method of axial chiral biaryl compound and chiral fluorenol compound	20200630
EP-3822268-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
WO-2021094436-A1	Substituted hydantoinamides as adamts7 antagonists	20191115

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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

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.97859
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	227.97859
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8