AG008GJ7

85107-56-8 | 4-Methoxycarbonyl-3-nitrophenylboronic acid

AG008GJ7

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CAS Number	85107-56-8
Catalog Number	AG008GJ7(AGN-PC-078TEI)
Chemical Name	4-Methoxycarbonyl-3-nitrophenylboronic acid
IUPAC Name	(4-methoxycarbonyl-3-nitrophenyl)boronic acid
InChI	InChI=1S/C8H8BNO6/c1-16-8(11)6-3-2-5(9(12)13)4-7(6)10(14)15/h2-4,12-13H,1H3
InChI Key	NLNDQDNATQPFEC-UHFFFAOYSA-N
MDL Number	MFCD12032027
Molecular Formula	C8H8BNO6
Molecular Weight	224.9632
SMILES	OB(C1=CC=C(C(OC)=O)C([N+]([O-])=O)=C1)O
Synonyms	85107-56-8, 4-Methoxycarbonyl-3-nitrophenylboronic acid, (4-(Methoxycarbonyl)-3-nitrophenyl)boronic acid, AK-40491, [4-(Methoxycarbonyl)-3-nitrophenyl]boronic acid, ACMC-209q4e, CTK8B2445, DTXSID20659397, KS-00000HX3, ANW-38124, MFCD12032027, AKOS015892921, ZINC169747183, CS-W000985, RL05269, VB10363, DS-13578, OR361348, AX8161836, DB-028953, ST2408005, TC-126869, 4CH-003082, FT-0755682, V8063, A-2678, I04-0792, I04-2633, J-515663, o-Nitro-p-(dihydroxyboryl)benzoic acid methyl ester, C8H8BNO6, ACN-044187, 4-Methoxycarbonyl-3-nitrophenylboronicacid,

Complexity	278
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.044g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	224.963g/mol
Monoisotopic Mass	225.044g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	113A^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

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