3-Amino-5-nitrophenylboronic Acid - CAS 89466-05-7
Catalog: |
BB039489 |
Product Name: |
3-Amino-5-nitrophenylboronic Acid |
CAS: |
89466-05-7 |
Synonyms: |
(3-amino-5-nitrophenyl)boronic acid; (3-amino-5-nitrophenyl)boronic acid |
IUPAC Name: | (3-amino-5-nitrophenyl)boronic acid |
Description: | 3-Amino-5-nitrophenylboronic Acid (CAS# 89466-05-7) is a useful research chemical. |
Molecular Weight: | 181.94 |
Molecular Formula: | C6H7N2O4B |
Canonical SMILES: | B(C1=CC(=CC(=C1)[N+](=O)[O-])N)(O)O |
InChI: | InChI=1S/C6H7BN2O4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3,10-11H,8H2 |
InChI Key: | KLVJZQJSYAKUKK-UHFFFAOYSA-N |
Boiling Point: | 484.1 °C at 760 mmHg |
Density: | 1.48 g/cm3 |
LogP: | -0.03880 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021077385-A1 | Wet-packed soft hydrogel ocular inserts | 20190918 |
WO-2021053586-A1 | Wet-packed soft hydrogel ocular inserts | 20190918 |
US-2020158913-A1 | Contact lens with phosphorylcholine-modified polyvinylalcohols therein | 20181115 |
WO-2020100090-A1 | Contact lens with phosphorylcholine-modified polyvinylalcohols therein | 20181115 |
US-11061169-B2 | Contact lens with phosphorylcholine-modified polyvinylalcohols therein | 20181115 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.0498869 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.0498869 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 112 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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