4-(Cyclopropylcarbamoyl)phenylboronic Acid - CAS 860173-33-7

Catalog:	BB037798
Product Name:	4-(Cyclopropylcarbamoyl)phenylboronic Acid
CAS:	860173-33-7
Synonyms:	[4-[(cyclopropylamino)-oxomethyl]phenyl]boronic acid; [4-(cyclopropylcarbamoyl)phenyl]boronic acid

Technical Data

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Computed Properties

IUPAC Name:	[4-(cyclopropylcarbamoyl)phenyl]boronic acid
Description:	4-(Cyclopropylcarbamoyl)phenylboronic Acid (CAS# 860173-33-7 ) is a useful research chemical.
Molecular Weight:	205.02
Molecular Formula:	C10H12NO3B
Canonical SMILES:	B(C1=CC=C(C=C1)C(=O)NC2CC2)(O)O
InChI:	InChI=1S/C10H12BNO3/c13-10(12-9-5-6-9)7-1-3-8(4-2-7)11(14)15/h1-4,9,14-15H,5-6H2,(H,12,13)
InChI Key:	WCRPDYXXIVYAAJ-UHFFFAOYSA-N
LogP:	-0.35050

Publication Number	Title	Priority Date
WO-2020210366-A1	Condensed azines for ep300 or cbp modulation and indications therefor	20190409
US-2021315872-A1	COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR	20190409
WO-2019138107-A1	Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase	20180115
CN-111601810-A	Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase	20180115
EP-3740493-A1	Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase	20180115

PMID	Publication Date	Title	Journal
20710065	20100811	Phenylboronic-acid-based carbohydrate binders as antiviral therapeutics: monophenylboronic acids	Antiviral chemistry & chemotherapy

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Related Functional Groups

Boronic Acids and Esters

[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[1029439-85-7]
2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester
[2247367-07-1]
4,4,4',4',5,5,5',5'-octaethyl-2,2'-bi(1,3,2-dioxaborolane)

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

Complexity:	235
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.0910234
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	205.0910234
Rotatable Bond Count:	3
Topological Polar Surface Area:	69.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0