Methyl 4-(Bromomethyl)phenylacetate - CAS 7398-42-7

Catalog:	BB034967
Product Name:	Methyl 4-(Bromomethyl)phenylacetate
CAS:	7398-42-7
Synonyms:	2-[4-(bromomethyl)phenyl]acetic acid methyl ester; methyl 2-[4-(bromomethyl)phenyl]acetate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-[4-(bromomethyl)phenyl]acetate
Description:	Methyl 4-(Bromomethyl)phenylacetate (CAS# 7398-42-7) is a useful research chemical.
Molecular Weight:	243.10
Molecular Formula:	C10H11BrO2
Canonical SMILES:	COC(=O)CC1=CC=C(C=C1)CBr
InChI:	InChI=1S/C10H11BrO2/c1-13-10(12)6-8-2-4-9(7-11)5-3-8/h2-5H,6-7H2,1H3
InChI Key:	APXOMRFLJBRHNX-UHFFFAOYSA-N
Boiling Point:	290.597 °C at 760 mmHg
Density:	1.416 g/cm³
LogP:	2.29700

Publication Number	Title	Priority Date
KR-20210122708-A	HMG-CoA Reductase Degradation Inducing Compound	20200330
WO-2021201577-A1	Hmg-coa reductase degradation inducing compound	20200330
JP-2021102590-A	Hypoxanthine compound	20191226
JP-2020128368-A	Medicine containing an azole-substituted pyridine compound as an active ingredient	20190208
US-2020174006-A1	Styryl phenols, derivatives and their use in methods of analyte detection	20181204

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.99424
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	241.99424
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4