AG004M02

849062-09-5 | 2,6-Difluoro-3-formylphenylboronic acid

AG004M02

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CAS Number	849062-09-5
Catalog Number	AG004M02(AGN-PC-00UQQ3)
Chemical Name	2,6-Difluoro-3-formylphenylboronic acid
IUPAC Name	(2,6-difluoro-3-formylphenyl)boronic acid
InChI	InChI=1S/C7H5BF2O3/c9-5-2-1-4(3-11)7(10)6(5)8(12)13/h1-3,12-13H
InChI Key	GLQAPMRINNTHGJ-UHFFFAOYSA-N
MDL Number	MFCD07369756
Molecular Formula	C7H5BF2O3
Molecular Weight	185.9206
SMILES	c1(ccc(c(c1F)B(O)O)F)C=O
Synonyms	849062-09-5, 2,6-Difluoro-3-formylphenylboronic acid, (2,6-Difluoro-3-formylphenyl)boronic acid, ACMC-209py1, SCHEMBL12077889, CTK5F3454, DTXSID40584652, GLQAPMRINNTHGJ-UHFFFAOYSA-N, ANW-37895, MFCD07369756, AKOS015853344, ZINC169747949, AB32232, FCH1122834, RTR-026300, BC001808, PC412083, AX8217795, (2,6-Difluoro-3-formyl-phenyl)boronic acid, ST24033744, X2325, B-4047, Boronic acid,B-(2,6-difluoro-3-formylphenyl)-, I04-2751, BORONIC ACID, B-(2,6-DIFLUORO-3-FORMYLPHENYL)-, C7H5BF2O3, (2,6-Difluoro-3-formylphenyl)boronicacid, 2,6-DIFLUORO-3-FORMYLPHENYLBORONICACID,

Complexity	191
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	8
Hazard statements	H302-H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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