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4-(isopropoxycarbonyl)-2-nitrophenylboronic acid

4-(isopropoxycarbonyl)-2-nitrophenylboronic acid

CAS: 1150114-61-6

Formula: C10H12BNO6

SMILES: CC(C)OC(=O)C1=CC(=C(C=C1)B(O)O)[N+]([O-])=O

IUPAC: {2-nitro-4-[(propan-2-yloxy)carbonyl]phenyl}boronic acid

InChI: InChI=1S/C10H12BNO6/c1-6(2)18-10(13)7-3-4-8(11(14)15)9(5-7)12(16)17/h3-6,14-15H,1-2H3

Composition: C (47.47%), H (4.78%), B (4.27%), N (5.54%), O (37.94%)

Molar Mass: 253.02

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 253.075767
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey FKPAMQONBPBHMF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.12
Topological Polar Surface Area 109.9
Polarizability 23.62
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1150114-61-6 $163.63-$350.63$163.63$350.63
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