Methyl 3-Amino-5-bromo-2-methylbenzoate - CAS 1000342-11-9

Catalog:	BB000019
Product Name:	Methyl 3-Amino-5-bromo-2-methylbenzoate
CAS:	1000342-11-9
Synonyms:	3-amino-5-bromo-2-methylbenzoic acid methyl ester; methyl 3-amino-5-bromo-2-methylbenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-amino-5-bromo-2-methylbenzoate
Description:	Methyl 3-Amino-5-bromo-2-methylbenzoate (CAS# 1000342-11-9) is a useful research chemical.
Molecular Weight:	244.09
Molecular Formula:	C9H10BrNO2
Canonical SMILES:	CC1=C(C=C(C=C1C(=O)OC)Br)N
InChI:	InChI=1S/C9H10BrNO2/c1-5-7(9(12)13-2)3-6(10)4-8(5)11/h3-4H,11H2,1-2H3
InChI Key:	NMLOSXSDLWFBKT-UHFFFAOYSA-N
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD08690071
LogP:	2.70750

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Related Functional Groups

Carbonyl Compounds

[1035840-45-9]
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[1006443-01-1]
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[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1