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3-[benzyl(methyl)carbamoyl]phenylboronic acid

3-[benzyl(methyl)carbamoyl]phenylboronic acid

CAS: 874460-01-2

Formula: C15H16BNO3

SMILES: CN(CC1=CC=CC=C1)C(=O)C1=CC=CC(=C1)B(O)O

IUPAC: {3-[benzyl(methyl)carbamoyl]phenyl}boronic acid

InChI: InChI=1S/C15H16BNO3/c1-17(11-12-6-3-2-4-7-12)15(18)13-8-5-9-14(10-13)16(19)20/h2-10,19-20H,11H2,1H3

Composition: C (66.95%), H (5.99%), B (4.02%), N (5.20%), O (17.84%)

Molar Mass: 269.11

Atom Count: 36

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 269.122323
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey SZEATPHXIPBXGU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.09
Topological Polar Surface Area 60.77
Polarizability 29.63
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 874460-01-2 $300.15-$2,202.25$300.15$734.85$1,278.80$2,202.25
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