(5-Bromo-2-pyrimidyl)methyl Benzoate - CAS 1025351-12-5

Catalog:	BB000881
Product Name:	(5-Bromo-2-pyrimidyl)methyl Benzoate
CAS:	1025351-12-5
Synonyms:	benzoic acid (5-bromo-2-pyrimidinyl)methyl ester; (5-bromopyrimidin-2-yl)methyl benzoate

Technical Data

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Computed Properties

IUPAC Name:	(5-bromopyrimidin-2-yl)methyl benzoate
Description:	(5-Bromo-2-pyrimidyl)methyl Benzoate (CAS# 1025351-12-5 ) is a useful research chemical.
Molecular Weight:	293.12
Molecular Formula:	C12H9BrN2O2
Canonical SMILES:	C1=CC=C(C=C1)C(=O)OCC2=NC=C(C=N2)Br
InChI:	InChI=1S/C12H9BrN2O2/c13-10-6-14-11(15-7-10)8-17-12(16)9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:	WRVDNKDFOHEVOB-UHFFFAOYSA-N
LogP:	2.59610

Publication Number	Title	Priority Date
AU-2014341188-A1	Sulfonamide derivative and medicinal use thereof	20131029
AU-2014341188-A2	Sulfonamide derivative and medicinal use thereof	20131029
AU-2014341188-B2	Sulfonamide derivative and medicinal use thereof	20131029
EP-3064491-A1	Sulfonamide derivative and medicinal use thereof	20131029
EP-3064491-B1	Sulfonamide derivative and medicinal use thereof	20131029

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Carbonyl Compounds

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Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	291.98474
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	291.98474
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3