3-{[(2-methoxy-4-nitrophenyl)carbamoyl]amino}phenylboronic acid

3-{[(2-methoxy-4-nitrophenyl)carbamoyl]amino}phenylboronic acid

Formula: C14H14BN3O6

SMILES: COC1=C(NC(=O)NC2=CC=CC(=C2)B(O)O)C=CC(=C1)[N+]([O-])=O

IUPAC: (3-{[(2-methoxy-4-nitrophenyl)carbamoyl]amino}phenyl)boronic acid

InChI: InChI=1S/C14H14BN3O6/c1-24-13-8-11(18(22)23)5-6-12(13)17-14(19)16-10-4-2-3-9(7-10)15(20)21/h2-8,20-21H,1H3,(H2,16,17,19)

Composition: C (50.79%), H (4.26%), B (3.26%), N (12.69%), O (28.99%)

Molar Mass: 331.09

Atom Count: 38

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	331.097565
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
InChIKey	INYLHPOPLKQNAE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.38
Topological Polar Surface Area	133.96
Polarizability	31.77
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C14H14BN3O6		Quote Only