AG000178

1001911-63-2 | Boronic acid, B-(9-phenyl-9H-carbazol-2-yl)-

AG000178

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CAS Number	1001911-63-2
Catalog Number	AG000178(AGN-PC-0HCS1B)
Chemical Name	Boronic acid, B-(9-phenyl-9H-carbazol-2-yl)-
IUPAC Name	(9-phenylcarbazol-2-yl)boronic acid
InChI	InChI=1S/C18H14BNO2/c21-19(22)13-10-11-16-15-8-4-5-9-17(15)20(18(16)12-13)14-6-2-1-3-7-14/h1-12,21-22H
InChI Key	XSAOVBUSKVZIBE-UHFFFAOYSA-N
MDL Number	MFCD22207050
Molecular Formula	C18H14BNO2
Molecular Weight	287.1203
SMILES	OB(O)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1
Synonyms	(9-Phenyl-9H-carbazol-2-yl)boronic acid, 1001911-63-2, 9-Phenylcarbazole-2-boronic Acid, (9-phenylcarbazol-2-yl)boronic acid, AK110694, SCHEMBL2127336, KS-00000QPZ, DTXSID10736782, 0121AA, MFCD22207050, AKOS016008924, ZINC169748377, ACN-029863, CS-W021124, DS-4925, AC-28763, BC005308, OR315156, SC-53762, SY037131, (9-Phenyl-9H-carbazole-2-yl)boronic acid, AX8239303, P2169, ST24034976, B-(9-Phenyl-9H-carbazol-2-yl)-boronic acid, J3.506.817A, MFCD22207050 (95%), Boronic acid, B-(9-phenyl-9H-carbazol-2-yl)-, (9-phenyl-9H-carbazol-2-yl)boronic acid (2PCBA), C18H14BNO2,

Complexity	385
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	287.112g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	287.125g/mol
Monoisotopic Mass	287.112g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	45.4A^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	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number