4-(2-Nitrovinyl)phenylboronic Acid - CAS 98555-37-4

Catalog:	BB042187
Product Name:	4-(2-Nitrovinyl)phenylboronic Acid
CAS:	98555-37-4
Synonyms:	[4-[(E)-2-nitroethenyl]phenyl]boronic acid; [4-[(E)-2-nitroethenyl]phenyl]boronic acid

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Computed Properties

IUPAC Name:	[4-[(E)-2-nitroethenyl]phenyl]boronic acid
Description:	4-(2-Nitrovinyl)phenylboronic Acid (CAS# 98555-37-4 ) is a useful research chemical.
Molecular Weight:	192.96
Molecular Formula:	C8H8NO4B
Canonical SMILES:	B(C1=CC=C(C=C1)C=C[N+](=O)[O-])(O)O
InChI:	InChI=1S/C8H8BNO4/c11-9(12)8-3-1-7(2-4-8)5-6-10(13)14/h1-6,11-12H/b6-5+
InChI Key:	GMEGTAODWQPCOD-AATRIKPKSA-N
LogP:	0.13700

Publication Number	Title	Priority Date
EP-3878891-A1	Dynamic covalent hydrogels, precursors thereof and uses thereof	20200310
WO-2021180795-A1	Dynamic covalent hydrogels, precursors thereof and uses thereof	20200310
CA-3054300-A1	Curable and solvent soluble formulations and methods of making and using thereof	20170222
EP-3585824-A2	Curable and solvent soluble formulations and methods of making and using thereof	20170222
US-2020062877-A1	Curable and Solvent Soluble Formulations and Methods of Making and Using Therof	20170222

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GHS Hazard Statement:	H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	193.0546379
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	193.0546379
Rotatable Bond Count:	2
Topological Polar Surface Area:	86.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0