AG008MG1

80500-27-2 | (4-Methyl-3-nitrophenyl)boronic acid

AG008MG1

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CAS Number	80500-27-2
Catalog Number	AG008MG1(AGN-PC-0KKVHP)
Chemical Name	(4-Methyl-3-nitrophenyl)boronic acid
IUPAC Name	(4-methyl-3-nitrophenyl)boronic acid
InChI	InChI=1S/C7H8BNO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4,10-11H,1H3
InChI Key	OASVXBRTNVFKFS-UHFFFAOYSA-N
MDL Number	MFCD00191550
Molecular Formula	C7H8BNO4
Molecular Weight	180.9537
SMILES	CC1=C(C=C(C=C1)B(O)O)[N+]([O-])=O
Synonyms	4-Methyl-3-nitrophenylboronic acid, 80500-27-2, (4-methyl-3-nitrophenyl)boronic acid, 4-METHYL-3-NITROBENZENEBORONIC ACID, (4-methyl-3-nitro-phenyl)boronic Acid, 3-Nitro-p-tolylboronic Acid, 3-NITRO-4-METHYLPHENYLBORONIC ACID, (4-methyl-3-nitrophenyl)boranediol, 4-methyl-3-nitrophenyl boronic acid, MFCD00191550, Boronic acid, (4-methyl-3-nitrophenyl)-, 3-NITRO-4-METHYLBENZENEBORONIC ACID, 4-Methyl-3-nitrophenylboronicacid, PubChem1870, ACMC-209pjk, AC1MCN2K, AC1Q2ECI, AC1Q2ECJ, 4-Borono-2-nitrotoluene, 5-Borono-2-methylnitrobenzene, SCHEMBL177216, CTK5E7844, KS-00000ARY, DTXSID00378514, OASVXBRTNVFKFS-UHFFFAOYSA-N, BM410, ANW-37374, CM-962, SBB064127, 4-methyl-3-nitro-phenyl boronic acid, 4-Methyl-3-Nitrophenyl-Boronic Acid, 2-NITROTOLUENE-4-BORONIC ACID, AKOS004116430, ZINC169746924, AB04593, CS-W000971, MCULE-7780049703, VB10697, NCGC00249477-01, AC-29769, AK-36429, AN-36411, AS-14235, BC001036, BC200375, K433, SC-69501, SY024626, AB0014219, AB1003595, Boronic acid,B-(4-methyl-3-nitrophenyl)-, DB-016074, ST2414350, TC-126119, TL8005414, 4CH-003116, FT-0083809, FT-0083814, FT-0619036, M1127, ST50408336, EN300-43589, MFCD00191550 (97%), B-5104, 3-NITROPHENYL-4-METHYLPHENYLBORONIC ACID, 500M272, A808102, 4-Methyl-3-nitrophenylboronic acid; 3-Nitro-p-tolylboronic acid, BENZENEBORONICACID, C7H8BNO4, MFCD06659821, ACN-044056, CID2773515, 3-Nitropheny-4-methylphenylboronic acid, Boronic acid,B-(4-methyl-2-nitrophenyl)-, (4-METHYL-2-NITRO)BENZENEBORONIC ACID, 4-Methyl-3-nitrophenylboronic acid, 97% - 1G 1g, 143697-03-4,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.055g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.954g/mol
Monoisotopic Mass	181.055g/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

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