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3-amino-5-fluorophenylboronic acid

3-amino-5-fluorophenylboronic acid

CAS: 1150114-48-9

Formula: C6H7BFNO2

SMILES: NC1=CC(F)=CC(=C1)B(O)O

IUPAC: (3-amino-5-fluorophenyl)boronic acid

InChI: InChI=1S/C6H7BFNO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H,9H2

Composition: C (46.51%), H (4.55%), B (6.98%), F (12.26%), N (9.04%), O (20.65%)

Molar Mass: 154.94

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 155.055387
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey NHZHXBVKNNGPON-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.52
Topological Polar Surface Area 66.48
Polarizability 14.4
Ring Count 1
Rotatable Bond Count 1

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