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3-[(isopropoxycarbonyl)amino]phenylboronic acid

3-[(isopropoxycarbonyl)amino]phenylboronic acid

CAS: 1638329-69-7

Formula: C10H14BNO4

SMILES: CC(C)OC(=O)NC1=CC(=CC=C1)B(O)O

IUPAC: (3-{[(propan-2-yloxy)carbonyl]amino}phenyl)boronic acid

InChI: InChI=1S/C10H14BNO4/c1-7(2)16-10(13)12-9-5-3-4-8(6-9)11(14)15/h3-7,14-15H,1-2H3,(H,12,13)

Composition: C (53.85%), H (6.33%), B (4.85%), N (6.28%), O (28.69%)

Molar Mass: 223.04

Atom Count: 30

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 223.101588
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey BYJOHPRULZBYSR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.26
Topological Polar Surface Area 78.79
Polarizability 22.81
Ring Count 1
Rotatable Bond Count 4

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