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4-(5-amino-1,3,4-thiadiazol-2-yl)phenylboronic acid

4-(5-amino-1,3,4-thiadiazol-2-yl)phenylboronic acid

CAS: 957034-52-5

Formula: C8H8BN3O2S

SMILES: NC1=NN=C(S1)C1=CC=C(C=C1)B(O)O

IUPAC: [4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]boronic acid

InChI: InChI=1S/C8H8BN3O2S/c10-8-12-11-7(15-8)5-1-3-6(4-2-5)9(13)14/h1-4,13-14H,(H2,10,12)

Composition: C (43.47%), H (3.65%), B (4.89%), N (19.01%), O (14.48%), S (14.50%)

Molar Mass: 221.04

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 221.043028
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey AXLUIXIRFSJARE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.21
Topological Polar Surface Area 92.26
Polarizability 21.88
Ring Count 2
Rotatable Bond Count 2

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Angene International Limited
Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 957034-52-5 $421.25-$1,656.00$421.25$802.13$1,656.00
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