3,5-Dibromo-4-fluorobenzoic Acid - CAS 402-87-9

Catalog:	BB024430
Product Name:	3,5-Dibromo-4-fluorobenzoic Acid
CAS:	402-87-9
Synonyms:	3,5-dibromo-4-fluorobenzoic acid; 3,5-dibromo-4-fluorobenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	3,5-dibromo-4-fluorobenzoic acid
Description:	3,5-Dibromo-4-fluorobenzoic Acid (CAS# 402-87-9 ) is a useful research chemical.
Molecular Weight:	297.90
Molecular Formula:	C7H3Br2FO2
Canonical SMILES:	C1=C(C=C(C(=C1Br)F)Br)C(=O)O
InChI:	InChI=1S/C7H3Br2FO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
InChI Key:	URZMIPMWYXHUMI-UHFFFAOYSA-N
LogP:	3.04890

Publication Number	Title	Priority Date
CN-111825677-A	Selective NK-3 receptor antagonist and preparation and application thereof	20190419
WO-2005063385-A1	Method for oxidizing saturated hydrocarbons	20031219
CA-2430171-A1	Preparation of aromatic and heteroaromatic carboxylic acids by catalytic ozonolysis	20020515
EP-1362840-A1	Process for the preparation of aromatic and heteroaromatic carboxylic acids via catalytic ozonolysis	20020515
JP-2003335724-A	Process for producing aromatic and heteroaromatic carboxylic acids by catalytic ozonolysis	20020515

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Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	297.84633
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	295.84838
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9