Methyl 4-Amino-3-bromo-5-methylbenzoate - CAS 900019-52-5

Catalog:	BB039730
Product Name:	Methyl 4-Amino-3-bromo-5-methylbenzoate
CAS:	900019-52-5
Synonyms:	4-amino-3-bromo-5-methylbenzoic acid methyl ester; methyl 4-amino-3-bromo-5-methylbenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4-amino-3-bromo-5-methylbenzoate
Description:	Methyl 4-Amino-3-bromo-5-methylbenzoate (CAS# 900019-52-5) is a useful research chemical.
Molecular Weight:	244.09
Molecular Formula:	C9H10BrNO2
Canonical SMILES:	CC1=C(C(=CC(=C1)C(=O)OC)Br)N
InChI:	InChI=1S/C9H10BrNO2/c1-5-3-6(9(12)13-2)4-7(10)8(5)11/h3-4H,11H2,1-2H3
InChI Key:	WJMQXQGSWCVNHQ-UHFFFAOYSA-N
Appearance:	Pale pink solid
LogP:	2.70750

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.98949
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.98949
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1