Methyl 2-bromo-3-hydroxybenzoate - CAS 1260783-82-1

Catalog:	BB054739
Product Name:	Methyl 2-bromo-3-hydroxybenzoate
CAS:	1260783-82-1
Synonyms:	Benzoic acid, 2-bromo-3-hydroxy-, methyl ester

Technical Data

Computed Properties

IUPAC Name:	methyl 2-bromo-3-hydroxybenzoate
Molecular Weight:	231.04
Molecular Formula:	C8H7BrO3
Canonical SMILES:	COC(=O)C1=C(C(=CC=C1)O)Br
InChI:	InChI=1S/C8H7BrO3/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4,10H,1H3
InChI Key:	ASHUCZPMZTUROZ-UHFFFAOYSA-N
Boiling Point:	295.2±20.0 °C at 760 mmHg
Density:	1.6±0.1 g/cm3

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Related Functional Groups

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Arenes

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Halides

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[1225940-17-9]
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[832741-29-4]
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[452-76-6]
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Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.95786
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.95786
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1