5-Acetamido-2-methylphenylboronic Acid - CAS 1060661-55-3

Catalog:	BB001768
Product Name:	5-Acetamido-2-methylphenylboronic Acid
CAS:	1060661-55-3
Synonyms:	(5-acetamido-2-methylphenyl)boronic acid; (5-acetamido-2-methylphenyl)boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	(5-acetamido-2-methylphenyl)boronic acid
Description:	5-Acetamido-2-methylphenylboronic Acid (CAS# 1060661-55-3) is a building block used in organic synthesis.
Molecular Weight:	193.01
Molecular Formula:	C9H12NO3B
Canonical SMILES:	B(C1=C(C=CC(=C1)NC(=O)C)C)(O)O
InChI:	InChI=1S/C9H12BNO3/c1-6-3-4-8(11-7(2)12)5-9(6)10(13)14/h3-5,13-14H,1-2H3,(H,11,12)
InChI Key:	YJBSHDWYEWWMNT-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	-0.29380

Publication Number	Title	Priority Date
AU-2018273356-A1	KRAS G12C inhibitors and methods of using the same	20170522
US-10519146-B2	KRAS G12C inhibitors and methods of using the same	20170522
US-2018334454-A1	Kras g12c inhibitors and methods of using the same	20170522
US-2020055845-A1	Kras g12c inhibitors and methods of using the same	20170522
US-2021009577-A1	Kras g12c inhibitors and methods of using the same	20170522

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Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.0910234
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	193.0910234
Rotatable Bond Count:	2
Topological Polar Surface Area:	69.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0