AG004XJK

85107-54-6 | 4-Carboxy-2-nitrophenylboronic acid

AG004XJK

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CAS Number	85107-54-6
Catalog Number	AG004XJK(AGN-PC-0JNLVQ)
Chemical Name	4-Carboxy-2-nitrophenylboronic acid
IUPAC Name	4-borono-3-nitrobenzoic acid
InChI	InChI=1S/C7H6BNO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,12-13H,(H,10,11)
InChI Key	APBXPKJLXBBPQJ-UHFFFAOYSA-N
MDL Number	MFCD00448780
Molecular Formula	C7H6BNO6
Molecular Weight	210.9366
SMILES	OB(C1=CC=C(C(O)=O)C=C1[N+]([O-])=O)O
Synonyms	4-carboxy-2-nitrobenzeneboronic acid, 4-CO2H-2-NBBA, 4-carboxy-2-nitrophenylboronic acid, 85107-54-6, 4-borono-3-nitrobenzoic acid, 4-Carboxy-2-nitrobenzeneboronic acid, MFCD00448780, 2-NITRO-4-CARBOXYBENZENEBORONIC ACID, 4-Carboxy-2-nitrophenylboronicacid, Benzoic acid, 4-borono-3-nitro-, 4-CO2H-2-Nbba, rarechem ah pb 0047, AC1L4TYH, ACMC-209q4c, 4-borono-3-nitrobenzoic aci, KSC654C5H, 4-carboxy-2-nitrophenylboronic, 4-borono-3-nitro-benzoic acid, SCHEMBL1814007, CTK5F4153, DTXSID20234224, ACT11059, KS-000011GA, ZX-AT002626, ANW-38122, SBB064120, AKOS015836302, ZINC169745525, AB05993, AT-5845, CS-W015086, OR10401, PS-9588, RP26589, 3-Nitro-4-(dihydroxyboryl)benzoic acid, 4-(dihydroxyboranyl)-3-nitrobenzoic acid, 4-carboxy-2-nitrophenylboronic acid 97%, AK-44975, AN-35755, BC001028, CC-18100, N276, SC-50070, 4-carboxy-2-nitrobenzeneboronic acid 97%, AX8004488, DB-028785, ST2405688, TL8005562, TR-032851, FT-0083804, FT-0641993, Benzoic acid,4-borono-3-nitro- (6CI,9CI), 4-(DIHYDROXYBORYL)-3-NITROBENZOIC ACID, 107C546, C-10923, J-514867, C7H6BNO6, cc-502, CID192216, (4-Carboxy-2-nitrophenyl)boronic acid, ACN-032589, B-5260,

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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number