Methyl 2-amino-5-bromo-4-isopropylbenzoate - CAS 1000018-13-2

Catalog:	BB000005
Product Name:	Methyl 2-amino-5-bromo-4-isopropylbenzoate
CAS:	1000018-13-2
Synonyms:	methyl 2-amino-5-bromo-4-propan-2-ylbenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-amino-5-bromo-4-propan-2-ylbenzoate
Description:	Methyl 2-amino-5-bromo-4-isopropylbenzoate (CAS# 1000018-13-2 ) is a useful research chemical.
Molecular Weight:	272.14
Molecular Formula:	C11H14BrNO2
Canonical SMILES:	CC(C)C1=C(C=C(C(=C1)N)C(=O)OC)Br
InChI:	InChI=1S/C11H14BrNO2/c1-6(2)7-5-10(13)8(4-9(7)12)11(14)15-3/h4-6H,13H2,1-3H3
InChI Key:	DXRFEGRLPOBRKX-UHFFFAOYSA-N
Purity:	95 %
Appearance:	White to faint yellow to faint beige to faint brown crystals or powder
Storage:	Keep in dark place, Inert atmosphere, Room temperature
LogP:	3.52250

Publication Number	Title	Priority Date
WO-2020232375-A1	Oxoacridinyl acetic acid derivatives and methods of use	20190516

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Related Functional Groups

Carbonyl Compounds

[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[328270-02-6]
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
[606-18-8]
2-Amino-3-nitrobenzoic Acid

Complexity:	233
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	271.02079
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	271.02079
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5