4-fluoro-3-[methoxy(methyl)carbamoyl]phenylboronic acid

4-fluoro-3-[methoxy(methyl)carbamoyl]phenylboronic acid

CAS: 874290-69-4

Formula: C9H11BFNO4

SMILES: CON(C)C(=O)C1=CC(=CC=C1F)B(O)O

IUPAC: {4-fluoro-3-[methoxy(methyl)carbamoyl]phenyl}boronic acid

InChI: InChI=1S/C9H11BFNO4/c1-12(16-2)9(13)7-5-6(10(14)15)3-4-8(7)11/h3-5,14-15H,1-2H3

Composition: C (47.62%), H (4.88%), B (4.76%), F (8.37%), N (6.17%), O (28.19%)

Molar Mass: 227

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	227.076516
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	WNDRABQWMCWUIO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.04
Topological Polar Surface Area	70
Polarizability	20.55
Ring Count	1
Rotatable Bond Count	3

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