AG004P6M

871125-93-8 | 2,6-Difluoro-4-formylphenylboronic acid

AG004P6M

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CAS Number	871125-93-8
Catalog Number	AG004P6M(AGN-PC-0WA5T6)
Chemical Name	2,6-Difluoro-4-formylphenylboronic acid
IUPAC Name	(2,6-difluoro-4-formylphenyl)boronic acid
InChI	InChI=1S/C7H5BF2O3/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-3,12-13H
InChI Key	NQBHBNIZBDDDRH-UHFFFAOYSA-N
MDL Number	MFCD10697422
Molecular Formula	C7H5BF2O3
Molecular Weight	185.9206
SMILES	O=CC1=CC(F)=C(B(O)O)C(F)=C1
Synonyms	(2,6-Difluoro-4-formylphenyl)boronic acid, 871125-93-8, 2,6-Difluoro-4-formylphenylboronic acid, ACMC-209qey, CTK5F7829, DTXSID60681753, ANW-38504, FCH881888, MFCD10697422, AKOS006302502, ZINC169747476, AB59570, AM90145, BC001779, PC412101, AX8230699, ST2402155, TR-038094, 4CH-000498, Z0928, B-5637, 2 6-DIFLUORO-4-FORMYLPHENYLBORONIC ACID&, I04-2740, BORONIC ACID, B-(2,6-DIFLUORO-4-FORMYLPHENYL)-, C7H5BF2O3, (2,6-Difluoro-4-formylphenyl)boronicacid, 26-DIFLUORO-4-FORMYLPHENYLBORONICACID&,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.03g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	185.921g/mol
Monoisotopic Mass	186.03g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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