Methyl 4-Amino-2-bromo-5-fluorobenzoate - CAS 1196693-85-2

Catalog:	BB004569
Product Name:	Methyl 4-Amino-2-bromo-5-fluorobenzoate
CAS:	1196693-85-2
Synonyms:	4-amino-2-bromo-5-fluorobenzoic acid methyl ester; methyl 4-amino-2-bromo-5-fluorobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4-amino-2-bromo-5-fluorobenzoate
Description:	Methyl 4-Amino-2-bromo-5-fluorobenzoate (CAS# 1196693-85-2 ) is a useful research chemical.
Molecular Weight:	248.05
Molecular Formula:	C8H7BrFNO2
Canonical SMILES:	COC(=O)C1=CC(=C(C=C1Br)N)F
InChI:	InChI=1S/C8H7BrFNO2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,11H2,1H3
InChI Key:	CKJNUHFTKVVRPG-UHFFFAOYSA-N
LogP:	2.53820

Publication Number	Title	Priority Date
AU-2009248058-A1	N- (1, 1, 1, 3, 3, 3-hexafluoro-2-hydroxypropan-2-yl) benzyl-n' -arylcarbonylpiperazine derivatives	20080515
AU-2009248058-B2	N- (1, 1, 1, 3, 3, 3-hexafluoro-2-hydroxypropan-2-yl) benzyl-n' -arylcarbonylpiperazine derivatives	20080515
CA-2723826-A1	N-(1, 1, 1, 3, 3, 3-hexafluoro-2-hydroxypropan-2-yl) benzyl-n'-arylcarbonylpiperazine derivatives	20080515
CA-2723826-C	N-(1, 1, 1, 3, 3, 3-hexafluoro-2-hydroxypropan-2-yl) benzyl-n'-arylcarbonylpiperazine derivatives	20080515
EP-2297118-A1	N- (1, 1, 1, 3, 3, 3-hexafluoro-2-hydroxypropan-2-yl) benzyl-n' -arylcarbonylpiperaz ine derivatives	20080515

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Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.96442
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	246.96442
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9