AG001I74

143697-03-4 | Boronic acid, B-(4-methyl-2-nitrophenyl)-

AG001I74

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CAS Number	143697-03-4
Catalog Number	AG001I74(AGN-PC-0JQA6Q)
Chemical Name	Boronic acid, B-(4-methyl-2-nitrophenyl)-
IUPAC Name	(4-methyl-2-nitrophenyl)boronic acid
InChI	InChI=1S/C7H8BNO4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4,10-11H,1H3
InChI Key	AYHIVXNOPOXRIZ-UHFFFAOYSA-N
MDL Number	MFCD06659821
Molecular Formula	C7H8BNO4
Molecular Weight	180.9537
NSC Number	525354
SMILES	O=[N+](C1=CC(C)=CC=C1B(O)O)[O-]
Synonyms	143697-03-4, (4-methyl-2-nitrophenyl)boronic acid, 4-Methyl-2-nitrophenylboronic acid, 4-Methyl-2-nitrobenzeneboronic acid, Boronic acid,B-(4-methyl-2-nitrophenyl)-, 4-methyl-2-nitrobenzene boronic acid, NSC525354, AC1L6ZYQ, AC1Q5ACS, ACMC-209cr8, SCHEMBL520350, CTK4C3766, DTXSID20326214, AYHIVXNOPOXRIZ-UHFFFAOYSA-N, 2-Nitro-4-methylphenylboronic acid, ZX-AT008313, 2-nitro-4-methyl-phenylboronic acid, ANW-20802, FCH921275, OR1198, AKOS006343016, ZINC169745686, AB26400, CM-2085, NSC-525354, RTR-005574, VB10472, AK-45153, CC-00735, AX8004915, DB-015876, TR-005574, Boronic acid, B-(4-methyl-2-nitrophenyl)-, FT-0643361, X0523, B-2652, C-06779, I04-2415, C7H8BNO4, CID352214, MFCD06659821, (4-METHYL-2-NITRO)BENZENEBORONIC ACID,

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

Certificate of Analysis

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