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4-(butane-1-sulfonamido)phenylboronic acid

4-(butane-1-sulfonamido)phenylboronic acid

CAS: 1072945-66-4

Formula: C10H16BNO4S

SMILES: CCCCS(=O)(=O)NC1=CC=C(C=C1)B(O)O

IUPAC: [4-(butane-1-sulfonamido)phenyl]boronic acid

InChI: InChI=1S/C10H16BNO4S/c1-2-3-8-17(15,16)12-10-6-4-9(5-7-10)11(13)14/h4-7,12-14H,2-3,8H2,1H3

Composition: C (46.72%), H (6.27%), B (4.20%), N (5.45%), O (24.89%), S (12.47%)

Molar Mass: 257.11

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 257.089309
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey GFVQWMXOLYHARX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.28
Topological Polar Surface Area 86.63
Polarizability 26.21
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1072945-66-4 $463.45-$898.15$463.45$898.15
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