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4-{[(benzyloxy)carbonyl]amino}-3-chlorophenylboronic acid

4-{[(benzyloxy)carbonyl]amino}-3-chlorophenylboronic acid

Formula: C14H13BClNO4

SMILES: OB(O)C1=CC(Cl)=C(NC(=O)OCC2=CC=CC=C2)C=C1

IUPAC: (4-{[(benzyloxy)carbonyl]amino}-3-chlorophenyl)boronic acid

InChI: InChI=1S/C14H13BClNO4/c16-12-8-11(15(19)20)6-7-13(12)17-14(18)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,17,18)

Composition: C (55.04%), H (4.29%), B (3.54%), Cl (11.60%), N (4.58%), O (20.95%)

Molar Mass: 305.52

Atom Count: 34

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 305.062616
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey DXCVMFOUACLNDM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.51
Topological Polar Surface Area 78.79
Polarizability 30.6
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula UnitPrice
98% <10 Days C14H13BClNO4 Quote Only