AG001FZR

1411643-59-8 | Boronic acid, B-[2-(1-azetidinyl)-5-pyrimidinyl]-

AG001FZR

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CAS Number	1411643-59-8
Catalog Number	AG001FZR(AGN-PC-0WAGEO)
Chemical Name	Boronic acid, B-[2-(1-azetidinyl)-5-pyrimidinyl]-
IUPAC Name	[2-(azetidin-1-yl)pyrimidin-5-yl]boronic acid
InChI	InChI=1S/C7H10BN3O2/c12-8(13)6-4-9-7(10-5-6)11-2-1-3-11/h4-5,12-13H,1-3H2
InChI Key	NQBHKXVNPWRYKQ-UHFFFAOYSA-N
MDL Number	MFCD18261197
Molecular Formula	C7H10BN3O2
Molecular Weight	178.9842
SMILES	OB(C1=CN=C(N2CCC2)N=C1)O
Synonyms	(2-(Azetidin-1-yl)pyrimidin-5-yl)boronic acid, 1411643-59-8, AK153962, 2-(azetidin-1-yl)pyrimidin-5-ylboronic acid, [2-(azetidin-1-yl)pyrimidin-5-yl]boronic acid, KS-00000SCF, MFCD18261197, AKOS024260464, ZINC169747351, CS-W006335, DS-7842, FCH1137836, AX8289466, ST2402164, Boronic acid, B-[2-(1-azetidinyl)-5-pyrimidinyl]-,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.087g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	178.986g/mol
Monoisotopic Mass	179.087g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	69.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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