AG0034FB

68572-87-2 | 9-Phenanthreneboronic acid

AG0034FB

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CAS Number	68572-87-2
Catalog Number	AG0034FB(AGN-PC-00FX2M)
Chemical Name	9-Phenanthreneboronic acid
IUPAC Name	phenanthren-9-ylboronic acid
InChI	InChI=1S/C14H11BO2/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,16-17H
InChI Key	JCDAUYWOHOLVMH-UHFFFAOYSA-N
MDL Number	MFCD00143524
Molecular Formula	C14H11BO2
Molecular Weight	222.0469
SMILES	C1=CC=CC2=C1C=C(C3=CC=CC=C23)B(O)O
Synonyms	9-Phenanthreneboronic Acid, 68572-87-2, Phenanthren-9-ylboronic Acid, 9-Phenanthracenylboronic acid, Phenanthrene-9-boronic acid, 9-phenanthrenylboronic acid, 9-phenanthrene boronic acid, 9-Phenanthreneboronicacid, 9-phenanthrylboronic acid, CHEMBL140467, Boronic acid, 9-phenanthrenyl-, MFCD00143524, AK-48849, Phenanthreneboronicacid, PubChem20620, ACMC-209o3z, KSC628E1B, SCHEMBL368234, Boronic acid,B-9-phenanthrenyl-, CTK5C8210, DTXSID80472347, JCDAUYWOHOLVMH-UHFFFAOYSA-N, BCP22764, RTP-0032, ZX-AT011953, ANW-35517, BBL101771, BDBM50067909, CP-374, OR5963, PHENANTHRACENE-9-BORONIC ACID, SBB071325, STL555568, AKOS008901242, ZINC169745017, AB03875, BCP9000204, CS-W002428, LS11069, RP27360, VB10741, AN-11421, AS-15952, BC000730, BR-48849, CC-23596, SC-53134, SY014923, AB0018190, AX8015187, TL8004810, AM20060975, FT-0084933, FT-0641194, P1093, ST24030057, MFCD00143524 (97%), A-9005, A836187, C-12338, J-519520, C14H11BO2, AC-5003, ACN-029102, CID11775704, R501, 9-Phenanthracenylboronic acid, 98% - 1G 1g,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.085g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	222.05g/mol
Monoisotopic Mass	222.085g/mol
Rotatable Bond Count	1
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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