AG0014LU

13331-27-6 | Boronic acid, B-(3-nitrophenyl)-

AG0014LU

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CAS Number	13331-27-6
Catalog Number	AG0014LU(AGN-PC-0JK5YC)
Chemical Name	Boronic acid, B-(3-nitrophenyl)-
IUPAC Name	(3-nitrophenyl)boronic acid
InChI	InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
InChI Key	ZNRGSYUVFVNSAW-UHFFFAOYSA-N
MDL Number	MFCD00007193
Molecular Formula	C6H6BNO4
Molecular Weight	166.9271
SMILES	C1=C(C=CC=C1[N+]([O-])=O)B(O)O
Synonyms	3-nitrobenzeneboronic acid, 3-nitrophenylboronic acid, m-nitrobenzeneboronic acid, meta-nitrobenzeneboronic acid, 3-nitrophenylboronic acid, 13331-27-6, (3-nitrophenyl)boronic acid, 3-Nitrobenzeneboronic acid, m-Nitrophenylboronic acid, Boronic acid, (3-nitrophenyl)-, Benzeneboronic acid, m-nitro-, m-Nitrobenzeneboronic acid, 3-Nitrophenyl boronic acid, Boronic acid, B-(3-nitrophenyl)-, m-nitophenyl boronic acid, MFCD00007193, NSC 59739, 3-nitro-phenyl boronic acid, BRN 2938638, CHEMBL20945, AI3-60393, WLN: WNR CBQQ, 3-Nitrophenylboronic acid, 97%, zlchem 233, PubChem6366, AC1L1BZL, (3-nitrophenyl)boranediol, 3-nitropenyl boronic acid, m-nitrophenyl boronic acid, ACMC-1BT6W, 3-nitro-phenylboronic acid, 3-nitrophenyl-boronic acid, meta-nitrophenylboronic acid, 3-nitro-benzeneboronic acid, 3-nitrobenzene boronic acid, 3-nitrobenzene-boronic acid, 3-nitro-phenyl-boronic acid, 3-Nitro phenyl boronic acid, 3-nitro benzene boronic acid, (3-nitrophenyl)-boronic acid, SCHEMBL127723, dihydroxy(3-nitrophenyl)borane, DTXSID2065416, SCHEMBL14071499, AMBA00054, CTK0H6387, 3-Nitro-phenyl-1-dihydroxyborane, ZLC0041, Boronicacid, B-(3-nitrophenyl)-, ZNRGSYUVFVNSAW-UHFFFAOYSA-N, BM115, AC1Q7146, AC1Q7147, ACN-S004007, ACT04771, ALBB-006120, BCP18407, NSC59739, 3-Nitrophenylboronic acid, >=97%, ANW-19529, BBL104406, BDBM50067887, CN-055, NSC-59739, NSC401539, RW2294, SBB063228, STK503722, AKOS000265274, ZINC169743203, AB00854, AC-5363, AS-2715, CS-W007413, DB02797, LS10851, MCULE-5274072826, NSC-401539, RP08767, RTR-004538, TRA0038112, KS-0000008Q, NCGC00092010-01, NCGC00092010-02, AK-24787, AN-11061, BC000127, BR-24787, I296, LS-29188, SC-00835, SY015120, AB1001886, DB-025024, ST2417824, TL8000792, TR-004538, AM20060323, FT-0084890, FT-0602438, FT-0645343, FT-0659121, N0563, EN300-54327, B-2211, 75820-EP2284157A1, 75820-EP2308880A1, MFCD00007193 (97+%), 100871-EP2272828A1, 100871-EP2276085A1, 100871-EP2281861A2, 100871-EP2284920A1, 100871-EP2289877A1, 100871-EP2292601A1, 100871-EP2292602A1, 100871-EP2292603A1, 100871-EP2292618A1, 100871-EP2293650A1, 100871-EP2298737A1, 100871-EP2298739A1, 100871-EP2298740A1, 100871-EP2298741A1, 100871-EP2298771A2, 100871-EP2301920A1, 119811-EP2272817A1, 119811-EP2298731A1, 331N276, A806593, 3-Nitrobenzeneboronic acid; 3-Nitrophenylboric acid, I01-0921, I14-5789, J-512975, F0001-0442, nitrophenylboronic acid, Boronic acid derivative, C6H6BNO4, D0J7EL, 3-NITROPHENYLBORIC ACID, CID1677, |A-(3-nitrophenyl)-boronic acid, C6-H6-B-N-O4, ACN-031954, 3-Nitrophenylboronic acid, 97.5% - 1G 1g, 4-16-00-01670 (Beilstein Handbook Reference), NPB,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.039g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	166.927g/mol
Monoisotopic Mass	167.039g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	86.3A^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

Lot Number