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4-[(4,5-dihydro-1,3-thiazol-2-yl)carbamoyl]phenylboronic acid

4-[(4,5-dihydro-1,3-thiazol-2-yl)carbamoyl]phenylboronic acid

CAS: 850568-30-8

Formula: C10H11BN2O3S

SMILES: OB(O)C1=CC=C(C=C1)C(=O)NC1=NCCS1

IUPAC: {4-[(4,5-dihydro-1,3-thiazol-2-yl)carbamoyl]phenyl}boronic acid

InChI: InChI=1S/C10H11BN2O3S/c14-9(13-10-12-5-6-17-10)7-1-3-8(4-2-7)11(15)16/h1-4,15-16H,5-6H2,(H,12,13,14)

Composition: C (48.03%), H (4.43%), B (4.32%), N (11.20%), O (19.19%), S (12.82%)

Molar Mass: 250.08

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 250.058343
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey OJFHXSIPAXFCAJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.36
Topological Polar Surface Area 81.92
Polarizability 25.01
Ring Count 2
Rotatable Bond Count 2

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97% <5 Days 850568-30-8 $39.09-$171.50$39.09$66.83$171.50
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