AG00GT6R

870718-11-9 | 3,5-Difluoro-4-formylphenylboronic Acid

AG00GT6R

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CAS Number	870718-11-9
Catalog Number	AG00GT6R(AGN-PC-00UQKS)
Chemical Name	3,5-Difluoro-4-formylphenylboronic Acid
IUPAC Name	(3,5-difluoro-4-formylphenyl)boronic acid
InChI	InChI=1S/C7H5BF2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-3,12-13H
InChI Key	XWZOKATWICIEMU-UHFFFAOYSA-N
MDL Number	MFCD07784344
Molecular Formula	C7H5BF2O3
Molecular Weight	185.9206
SMILES	O=CC1=C(F)C=C(B(O)O)C=C1F
Synonyms	870718-11-9, 3,5-Difluoro-4-formylphenylboronic acid, (3,5-Difluoro-4-formylphenyl)boronic acid, AK-62005, 3,5-DIFLUORO-4-FORMYLBENZENEBORONIC ACID, 87018-11-9, ACMC-209qdi, SCHEMBL1318412, CTK5F7618, XWZOKATWICIEMU-UHFFFAOYSA-N, KS-000011HE, ANW-38452, MFCD07784344, AKOS005256473, ZINC169747557, FCH1122813, LS11331, RTR-038087, TRA0085376, AM808072, BC001807, DS-14898, PC448009, SC-66224, SY104573, AX8082602, ST2401548, 4CH-000496, FT-0084862, FT-0660351, X1402, MFCD07784344 (95%), B-8315, 3,5-Difluoro-4-formylphenylboronic acid, >=95%, Boronic acid, B-(3,5-difluoro-4-formylphenyl)-, I04-2737, F0001-2167, Cyclopentane,1,1'-(4-pentyl-1,7-heptanediyl)bis- (9CI), Not Available, C7H5BF2O3, ACN-046501, (3,5-Difluoro-4-formylphenyl)boronicacid,

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	H303+H313+H333-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P305+P351+P338
UN Code

Certificate of Analysis

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