4-Amino-3,5-difluorobenzoic Acid - CAS 500577-99-1

Catalog:	BB026906
Product Name:	4-Amino-3,5-difluorobenzoic Acid
CAS:	500577-99-1
Synonyms:	4-amino-3,5-difluorobenzoic acid; 4-amino-3,5-difluorobenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	4-amino-3,5-difluorobenzoic acid
Description:	4-Amino-3,5-difluorobenzoic Acid can be used to treat gastric cancer.
Molecular Weight:	173.12
Molecular Formula:	C7H5F2NO2
Canonical SMILES:	C1=C(C=C(C(=C1F)N)F)C(=O)O
InChI:	InChI=1S/C7H5F2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)
InChI Key:	MJHZRTJMDQYAHN-UHFFFAOYSA-N
LogP:	1.82640

Publication Number	Title	Priority Date
WO-2020168017-A1	Compositions containing, methods and uses of antibody-tlr agonist conjugates	20190212
CN-111166744-A	Application of 4- (benzothiazole-2-yl) arylamine compound in treating gastric cancer	20181112
WO-2020098516-A1	Use of 4-(benzothiazole-2-yl)arylamine compound in treating stomach cancer	20181112
CN-108947782-B	Bromofluoride multi-substituted benzaldehyde derivative and preparation method thereof	20180815
WO-2019222635-A1	Photocontrolled dynamic covalent linkers for polymer networks	20180518

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.02883473
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	173.02883473
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1