AG008GJ8

85107-55-7 | 4-Methoxycarbonyl-2-nitrophenylboronic acid

AG008GJ8

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CAS Number	85107-55-7
Catalog Number	AG008GJ8(AGN-PC-0KKVH3)
Chemical Name	4-Methoxycarbonyl-2-nitrophenylboronic acid
IUPAC Name	(4-methoxycarbonyl-2-nitrophenyl)boronic acid
InChI	InChI=1S/C8H8BNO6/c1-16-8(11)5-2-3-6(9(12)13)7(4-5)10(14)15/h2-4,12-13H,1H3
InChI Key	SFEJGHJCGQNFQC-UHFFFAOYSA-N
MDL Number	MFCD01632202
Molecular Formula	C8H8BNO6
Molecular Weight	224.9632
SMILES	COC(=O)C1=CC(=C(C=C1)B(O)O)[N+](=O)[O-]
Synonyms	4-Methoxycarbonyl-2-nitrophenylboronic acid, 85107-55-7, (4-methoxycarbonyl-2-nitrophenyl)boronic acid, 4-(methoxycarbonyl)-2-nitrophenylboronic acid, MFCD01632202, (4-methoxycarbonyl-2-nitro-phenyl)boronic Acid, 4-(methoxycarbonyl)-2-nitrobenzeneboronic acid, (4-(methoxycarbonyl)-2-nitrophenyl)boronic acid, METHYL 4-(DIHYDROXYBORANYL)-3-NITROBENZOATE, METHYL 4-BORONO-3-NITROBENZOATE, 2-nitro-4-methoxycarbonyl phenylboronic acid, [4-(methoxycarbonyl)-2-nitrophenyl]boronic acid, AC1MCN1C, ACMC-209q4d, AC1Q42VZ, KSC495S7T, SCHEMBL13011536, CTK3J5979, DTXSID60378494, SFEJGHJCGQNFQC-UHFFFAOYSA-N, ACT10991, KS-00000MG8, ANW-38123, CM-656, SBB064119, AKOS015852129, ZINC169745559, AB09468, M4020G1, RP00029, RP27541, RTC-069065, TRA0080337, VB10360, AK-45436, AN-35756, AS-14924, BC001035, BR-45436, N195, QC-10934, AB0015616, DB-028952, ST2405867, TC-069065, TL8005563, FT-0083805, FT-0641994, M2854, B-5079, 107M557, A810127, A841208, J-522254, 4-methoxycarbonyl-2-nitrophenylboronic acid, AldrichCPR, 4-(Methoxycarbonyl)-2-nitrophenylboronic Acid (contains varying amounts of Anhydride), C8H8BNO6, ACN-032658, ACN-042802, CID2773493, 4-Methoxycarbonyl-2-nitrobenzeneboronic acid, 4-METHOXYCARBONYL-2-NITROPHENYLBORONICACID, 16024-82-1,

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

Certificate of Analysis

Lot Number