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3-(cyclopropylcarbamoyl)phenylboronic acid

3-(cyclopropylcarbamoyl)phenylboronic acid

CAS: 850567-23-6

Formula: C10H12BNO3

SMILES: OB(O)C1=CC=CC(=C1)C(=O)NC1CC1

IUPAC: [3-(cyclopropylcarbamoyl)phenyl]boronic acid

InChI: InChI=1S/C10H12BNO3/c13-10(12-9-4-5-9)7-2-1-3-8(6-7)11(14)15/h1-3,6,9,14-15H,4-5H2,(H,12,13)

Composition: C (58.58%), H (5.90%), B (5.27%), N (6.83%), O (23.41%)

Molar Mass: 205.02

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 205.091023
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey ACYLEYDBPWXTIO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.79
Topological Polar Surface Area 69.56
Polarizability 21.17
Ring Count 2
Rotatable Bond Count 3

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98% <7 Days 850567-23-6 $14.49-$153.18$14.49$23.81$49.68$153.18
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95% <2 Days 850567-23-6 $51.35-$98.33$51.35$63.37$86.31$98.33
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