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1-(4-Bromo-2-fluorophenyl)cyclobutanecarboxylic Acid

1-(4-Bromo-2-fluorophenyl)cyclobutanecarboxylic Acid - CAS 1314788-41-4

Catalog:	BB007417
Product Name:	1-(4-Bromo-2-fluorophenyl)cyclobutanecarboxylic Acid
CAS:	1314788-41-4
Synonyms:	1-(4-bromo-2-fluorophenyl)-1-cyclobutanecarboxylic acid; 1-(4-bromo-2-fluorophenyl)cyclobutane-1-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1-(4-bromo-2-fluorophenyl)cyclobutane-1-carboxylic acid
Description:	1-(4-Bromo-2-fluorophenyl)cyclobutanecarboxylic Acid (CAS# 1314788-41-4 ) is a useful research chemical.
Molecular Weight:	273.10
Molecular Formula:	C11H10BrFO2
Canonical SMILES:	C1CC(C1)(C2=C(C=C(C=C2)Br)F)C(=O)O
InChI:	InChI=1S/C11H10BrFO2/c12-7-2-3-8(9(13)6-7)11(10(14)15)4-1-5-11/h2-3,6H,1,4-5H2,(H,14,15)
InChI Key:	XVYLKNMPDDHROU-UHFFFAOYSA-N

Publication Number	Title	Priority Date
AU-2018265615-A1	Substituted heterocyclic compounds as allosteric modulators of group II metabotropic glutamate receptors	20170512
BR-112019019740-A2	substituted heterocyclic compounds as allosteric modulators of group II metabotropic glutamate receptors	20170512
CN-110769830-A	Substituted heterocyclic compounds as allosteric modulators of group II metabotropic glutamate receptors	20170512
EP-3621620-A1	Substituted heterocyclic compounds as allosteric modulators of group ii metabotropic glutamate receptors	20170512
KR-20200035234-A	Substituted heterocyclic compounds as allosteric modulators of Group II metabolic glutamate receptors	20170512

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Complexity:	265
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	271.98482
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	271.98482
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1