3-(Methylcarbamoyl)-5-nitrophenylboronic acid - 98%, high purity , CAS No.871332-77-3

Item Number

M187364

Grouped product items
SKU	Size	Availability	Price	Qty
M187364-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90	+-
M187364-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$63.90	+-

Basic Description

Synonyms	3-(Methylcarbamoyl)-5-nitrophenylboronic acid \| 871332-77-3 \| [3-(methylcarbamoyl)-5-nitrophenyl]boronic acid \| 3-(N-Methylaminocarbonyl)-5-nitrobenzeneboronic acid \| 3-(Methylcarbamoyl)-5-nitrobenzeneboronic acid \| (3-(Methylcarbamoyl)-5-nitrophenyl)boronic acid \| B
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Names and Identifiers

IUPAC Name	[3-(methylcarbamoyl)-5-nitrophenyl]boronic acid
INCHI	InChI=1S/C8H9BN2O5/c1-10-8(12)5-2-6(9(13)14)4-7(3-5)11(15)16/h2-4,13-14H,1H3,(H,10,12)
InChi Key	USCXJPBVVDHSKA-UHFFFAOYSA-N
Canonical SMILES	B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC)(O)O
Isomeric SMILES	B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC)(O)O
PubChem CID	44119840
Molecular Weight	224

Chemical and Physical Properties

Molecular Weight	223.980 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	224.06 Da
Monoisotopic Mass	224.06 Da
Topological Polar Surface Area	115.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	280.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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Basic Description