Ethyl 3-Bromo-2-methylbenzoate - CAS 103038-43-3

Catalog:	BB000997
Product Name:	Ethyl 3-Bromo-2-methylbenzoate
CAS:	103038-43-3
Synonyms:	3-bromo-2-methylbenzoic acid ethyl ester; ethyl 3-bromo-2-methylbenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-bromo-2-methylbenzoate
Description:	Ethyl 3-Bromo-2-methylbenzoate (CAS# 103038-43-3) is a useful research chemical.
Molecular Weight:	243.10
Molecular Formula:	C10H11BrO2
Canonical SMILES:	CCOC(=O)C1=C(C(=CC=C1)Br)C
InChI:	InChI=1S/C10H11BrO2/c1-3-13-10(12)8-5-4-6-9(11)7(8)2/h4-6H,3H2,1-2H3
InChI Key:	ISZDEZLLBGJTTF-UHFFFAOYSA-N
LogP:	0.34720

Publication Number	Title	Priority Date
CN-111187172-A	Nitrophenyl ether compound, preparation method thereof, pharmaceutical composition and application	20200120
WO-2021148043-A1	Nitrophenyl ether compound, preparation method therefor, pharmaceutical composition thereof, and use thereof	20200120
CN-107474006-A	A kind of preparation method of 5 bromine isoindoline hydrochloride	20170925
KR-101789430-B1	Novel compound having SMO-inhibitory activity and composition for preventing or treating cancer comprising the same as an active ingredient	20160628
WO-2018004213-A1	Novel compound having smo inhibitory activity and composition comprising same as active ingredient for preventing or treating cancer	20160628

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Complexity:	182
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:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2