AG0036BY

854690-87-2 | [3-(difluoromethyl)phenyl]boronic acid

AG0036BY

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CAS Number	854690-87-2
Catalog Number	AG0036BY(AGN-PC-0786DE)
Chemical Name	[3-(difluoromethyl)phenyl]boronic acid
IUPAC Name	[3-(difluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C7H7BF2O2/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,7,11-12H
InChI Key	MYJVGNXKXAYCTH-UHFFFAOYSA-N
MDL Number	MFCD09864670
Molecular Formula	C7H7BF2O2
Molecular Weight	171.9371
SMILES	FC(C=1C=C(C=CC1)B(O)O)F
Synonyms	(3-(Difluoromethyl)phenyl)boronic acid, 854690-87-2, 3-Difluoromethyl-phenylboronic acid, [3-(Difluoromethyl)phenyl]boronic acid, 3-(difluoromethyl)phenylboronic acid, 3-(Difluoromethyl)benzeneboronic acid, Boronic acid, [3-(difluoromethyl)phenyl]-, SCHEMBL5096934, AMBA00011, CTK5F5071, DTXSID50660133, MYJVGNXKXAYCTH-UHFFFAOYSA-N, KS-00000OX8, MFCD09864670, SBB088558, 3-(difluoromethyl)-phenylboronic acid, (3-(difluoromethy)phenyl)boronic acid, AKOS015903961, ZINC169747409, CS-W006351, AK-51156, AM804416, DS-15773, ST2402305, 4CH-017714, Boronic acid,B-[3-(difluoromethyl)phenyl]-, I14-18044, 3-Difluoromethyl-phenylboronicacid, ACN-046544,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.051g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	171.938g/mol
Monoisotopic Mass	172.051g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number