2-Amino-3-bromo-5-fluorobenzoic Acid - CAS 259269-84-6

Catalog:	BB019075
Product Name:	2-Amino-3-bromo-5-fluorobenzoic Acid
CAS:	259269-84-6
Synonyms:	2-amino-3-bromo-5-fluorobenzoic acid; 2-amino-3-bromo-5-fluorobenzoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	2-amino-3-bromo-5-fluorobenzoic acid
Description:	2-Amino-3-bromo-5-fluorobenzoic Acid (CAS# 259269-84-6) is a useful research chemical.
Molecular Weight:	234.02
Molecular Formula:	C7H5BrFNO2
Canonical SMILES:	C1=C(C=C(C(=C1Br)N)C(=O)O)F
InChI:	InChI=1S/C7H5BrFNO2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2H,10H2,(H,11,12)
InChI Key:	LTOCPZGBNWZMBA-UHFFFAOYSA-N
Boiling Point:	344 °C at 760 mmHg
Density:	1.877 g/cm³
LogP:	2.44980

Publication Number	Title	Priority Date
WO-2020147525-A1	Preparation method for morpholinquinazoline compound and midbody thereof	20190116
EP-3354653-A1	Fused ring pyrimidine compound, intermediate, and preparation method, composition and use thereof	20150721
EP-3354653-B1	Fused ring pyrimidine compound, intermediate, and preparation method, composition and use thereof	20150721
US-2018208604-A1	Fused ring pyrimidine compound, intermediate, and preparation method, composition and use thereof	20150721
WO-2017012559-A1	Fused ring pyrimidine compound, intermediate, and preparation method, composition and use thereof	20150721

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Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.94877
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	232.94877
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1