AG000ONP

1257648-75-1 | 2-(Pyrrolidin-1-yl)pyridine-3-boronic acid

AG000ONP

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CAS Number	1257648-75-1
Catalog Number	AG000ONP(AGN-PC-07XTD8)
Chemical Name	2-(Pyrrolidin-1-yl)pyridine-3-boronic acid
IUPAC Name	(2-pyrrolidin-1-ylpyridin-3-yl)boronic acid
InChI	InChI=1S/C9H13BN2O2/c13-10(14)8-4-3-5-11-9(8)12-6-1-2-7-12/h3-5,13-14H,1-2,6-7H2
InChI Key	ROELQLBROWVGFW-UHFFFAOYSA-N
MDL Number	MFCD11867875
Molecular Formula	C9H13BN2O2
Molecular Weight	192.0227
SMILES	OB(O)C1=CC=CN=C1N1CCCC1
Synonyms	1257648-75-1, 2-(Pyrrolidin-1-yl)pyridine-3-boronic acid, (2-(Pyrrolidin-1-yl)pyridin-3-yl)boronic acid, [2-(Pyrrolidin-1-yl)pyridin-3-yl]boronic acid, ACMC-209b05, SCHEMBL15915410, CTK7I2640, DTXSID10674170, ROELQLBROWVGFW-UHFFFAOYSA-N, ZXBA000598, ANW-18531, MFCD11867875, (2-pyrrolidino-3-pyridyl)boronic acid, AKOS015960320, ZINC169902930, FCH1123044, 2-Pyrrolidin-1-ylpyridine-3-boronic acid, AS-48799, OR361594, (2-pyrrolidin-1-yl-3-pyridyl)boronic acid, AX8240062, TC-107276, Z8978, (2-pyrrolidin-1-ylpyridin-3-yl)boronic acid, [2-(1-pyrrolidinyl)-3-pyridinyl]boronic acid, B-8996, (2-(pyrrolidin-1-yl)pyridine-3-yl)boronic acid, J-005287, Boronic acid, B-[2-(1-pyrrolidinyl)-3-pyridinyl]-, C9H13BN2O2, (2-(Pyrrolidin-1-yl)pyridin-3-yl)boronicacid,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.107g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	192.025g/mol
Monoisotopic Mass	192.107g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	56.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

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