AG004KM3

871332-98-8 | (5-Bromo-2-ethoxypyridin-3-yl)boronic acid

AG004KM3

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CAS Number	871332-98-8
Catalog Number	AG004KM3(AGN-PC-079T6J)
Chemical Name	(5-Bromo-2-ethoxypyridin-3-yl)boronic acid
IUPAC Name	(5-bromo-2-ethoxypyridin-3-yl)boronic acid
InChI	InChI=1S/C7H9BBrNO3/c1-2-13-7-6(8(11)12)3-5(9)4-10-7/h3-4,11-12H,2H2,1H3
InChI Key	VXXXKWUXSALQQW-UHFFFAOYSA-N
MDL Number	MFCD07363847
Molecular Formula	C7H9BBrNO3
Molecular Weight	245.8663
SMILES	c1(cnc(c(c1)B(O)O)OCC)Br
Synonyms	871332-98-8, 5-Bromo-2-ethoxypyridine-3-boronic acid, (5-Bromo-2-ethoxypyridin-3-yl)boronic acid, 5-BROMO-2-ETHOXYPYRIDIN-3-YLBORONIC ACID, Boronic acid,B-(5-bromo-2-ethoxy-3-pyridinyl)-, (5-BROMO-2-ETHOXY-3-PYRIDYL)BORONIC ACID, ACMC-209qhr, 5-BROMO-2-ETHOXYPYRIDIN-3-YLBORONICACID, CTK5F7965, DTXSID00661236, ABBYPHARMA AP-12-5495, ANW-38605, MFCD07363847, AKOS015834227, ZINC169743959, AB30894, FCH1323687, RTR-027269, VB10719, BC001611, CC-21277, OR360291, SY026554, AX8005027, DB-056975, TR-027269, (5-bromo-2-ethoxy-3-pyridinyl)boronic acid, FT-0644996, ST24034803, X1420, MFCD07363847 (95%), A-4640, (5-bromanyl-2-ethoxy-pyridin-3-yl)boronic acid, 5-BROMO-2-ETHOXY-3-PYRIDINEBORONIC ACID, A842012, C-14949, I02-3177, C7H9BBrNO3,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.986g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	245.867g/mol
Monoisotopic Mass	244.986g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.6A^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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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