4-(dimethylcarbamoyl)-3-fluorophenylboronic acid

4-(dimethylcarbamoyl)-3-fluorophenylboronic acid

CAS: 874289-13-1

Formula: C9H11BFNO3

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

IUPAC: [4-(dimethylcarbamoyl)-3-fluorophenyl]boronic acid

InChI: InChI=1S/C9H11BFNO3/c1-12(2)9(13)7-4-3-6(10(14)15)5-8(7)11/h3-5,14-15H,1-2H3

Composition: C (51.23%), H (5.25%), B (5.12%), F (9.00%), N (6.64%), O (22.75%)

Molar Mass: 211

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	211.081601
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KEZPQOGKDGNRHH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.69
Topological Polar Surface Area	60.77
Polarizability	19.79
Ring Count	1
Rotatable Bond Count	2

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