AG0003P8

101084-81-5 | Benzoic acid, 3-borono-5-nitro-

AG0003P8

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CAS Number	101084-81-5
Catalog Number	AG0003P8(AGN-PC-0KKVCH)
Chemical Name	Benzoic acid, 3-borono-5-nitro-
IUPAC Name	3-borono-5-nitrobenzoic acid
InChI	InChI=1S/C7H6BNO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,12-13H,(H,10,11)
InChI Key	WNIFCLWDGNHGMX-UHFFFAOYSA-N
MDL Number	MFCD00757433
Molecular Formula	C7H6BNO6
Molecular Weight	210.9366
SMILES	OB(C1=CC([N+]([O-])=O)=CC(C(O)=O)=C1)O
Synonyms	101084-81-5, 3-Carboxy-5-nitrophenylboronic acid, 3-borono-5-nitrobenzoic acid, 3-nitro-5-carboxyphenylboronic acid, 5-Nitro-3-carboxyphenylboronic acid, MFCD00757433, (3-carboxy-5-nitrophenyl)boronic acid, Benzoic acid, 3-borono-5-nitro-, 3-Carboxy-5-nitrobenzeneboronic Acid, AK-32655, 3-Carboxy-5-nitrophenylboronic acid, 97%, 3-borono-5-nitro-benzoic Acid, PubChem5139, AC1MCMRQ, KSC174K1B, SCHEMBL559935, ACMC-2097u6, Jsp000190, Benzoicacid, 3-borono-5-nitro-, CTK0H4510, KS-00000LFP, DTXSID30378365, WNIFCLWDGNHGMX-UHFFFAOYSA-N, ZXBA000616, ACT11012, BCP18406, ZX-AT004924, ANW-14428, SBB063811, AKOS004116110, ZINC169743651, AB07032, AC-1218, C2100G1, OR10400, RL00070, RP09030, RTC-068455, TRA0000162, 3-(Dihydroxyboryl)-5-nitrobenzoic Acid, 3-(dihydroxyboranyl)-5-nitrobenzoic acid, AN-15174, AS-12925, BC000013, BC200372, BR-32655, CC-14319, AB0012605, AB1004740, AX8004487, DB-010554, ST2410488, TC-068455, TL8000080, 5-CARBOXY-3-NITROBENZENEBORONIC ACID, FT-0084873, FT-0601782, A-4104, 084C815, C-10922, I01-2985, J-512160, 3-Borono-5-nitrobenzoic acid; 3-Carboxy-5-nitrobenzeneboronic acid; 5-Carboxy-3-nitrobenzeneboronic acid, C7H6BNO6, cc-187, ACN-032635, ACN-043246, CID2773315, 2-NITRO-5-CARBOXYPHENYLBORONIC ACID, C2385, A16248, 3-Carboxy-5-nitrophenylboronic acid, 97% - 1G 1g,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.029g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	210.936g/mol
Monoisotopic Mass	211.029g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	124A^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