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2-amino-4-(methoxycarbonyl)phenylboronic acid

2-amino-4-(methoxycarbonyl)phenylboronic acid

CAS: 774530-27-7

Formula: C8H10BNO4

SMILES: COC(=O)C1=CC=C(B(O)O)C(N)=C1

IUPAC: [2-amino-4-(methoxycarbonyl)phenyl]boronic acid

InChI: InChI=1S/C8H10BNO4/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5/h2-4,12-13H,10H2,1H3

Composition: C (49.28%), H (5.17%), B (5.54%), N (7.18%), O (32.82%)

Molar Mass: 194.98

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 195.070288
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey OLHRJDVIFHDPLZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.33
Topological Polar Surface Area 92.78
Polarizability 19.14
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS UnitPrice
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