AG00I4C6

221037-98-5 | Boronic acid, (3-iodophenyl)-

AG00I4C6

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CAS Number	221037-98-5
Catalog Number	AG00I4C6(AGN-PC-0KK6IW)
Chemical Name	Boronic acid, (3-iodophenyl)-
IUPAC Name	(3-iodophenyl)boronic acid
InChI	InChI=1S/C6H6BIO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
InChI Key	REEUXWXIMNEIIN-UHFFFAOYSA-N
MDL Number	MFCD01319015
Molecular Formula	C6H6BIO2
Molecular Weight	247.8261
SMILES	IC1=CC=CC(=C1)B(O)O
Synonyms	3-Iodophenylboronic acid, 221037-98-5, (3-iodophenyl)boronic Acid, Boronic acid, (3-iodophenyl)-, MFCD01319015, AK-45910, Pentanedioic acid 1-[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl] ester, PubChem6224, ACMC-1CKKP, 3-Iodophenylboranic acid, AC1MC0YO, AMTB078, (3-iodanylphenyl)boronic acid, SCHEMBL787196, 3-IODOBENZENEBORONIC ACID, CTK4E8595, KS-00000NDB, Boronic acid,B-(3-iodophenyl)-, DTXSID20370252, REEUXWXIMNEIIN-UHFFFAOYSA-N, EBD44377, ZX-RL002599, ANW-50138, SBB071105, AKOS015890374, ZINC169743679, AB08836, AS-2313, CS-W005804, FCH1322872, RP06050, RTX-011911, VB10791, AC-24802, ACM221037985, AN-29596, BC001401, BR-45910, OR303431, SC-02551, SY030481, AB0008814, AX8008185, DB-016013, ST2407983, 4CH-001289, AM20060550, FT-0615911, MFCD01319015 (95%), M-1618, 122I996, A815926, I01-6887, J-512702, 3-Iodophenylboronicacid, C6H6BIO2, CID2734362, 3-Iodophenylboronic acid, 98% - 1G 1g, 5122-99-6,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.951g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	247.826g/mol
Monoisotopic Mass	247.951g/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	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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