AG0001JE

1003043-55-7 | Boronic acid, B-(2-ethoxy-5-pyrimidinyl)-

AG0001JE

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CAS Number	1003043-55-7
Catalog Number	AG0001JE(AGN-PC-00Z4X9)
Chemical Name	Boronic acid, B-(2-ethoxy-5-pyrimidinyl)-
IUPAC Name	(2-ethoxypyrimidin-5-yl)boronic acid
InChI	InChI=1S/C6H9BN2O3/c1-2-12-6-8-3-5(4-9-6)7(10)11/h3-4,10-11H,2H2,1H3
InChI Key	VTPBKJXRYUDPAJ-UHFFFAOYSA-N
MDL Number	MFCD07375134
Molecular Formula	C6H9BN2O3
Molecular Weight	167.9583
SMILES	CCOC1=NC=C(B(O)O)C=N1
Synonyms	1003043-55-7, 2-Ethoxypyrimidine-5-boronic acid, (2-Ethoxypyrimidin-5-yl)boronic acid, 2-ethoxypyrimidin-5-ylboronic acid, AK-84690, ACMC-2097of, SCHEMBL2067186, CTK3J8749, DTXSID50586046, VTPBKJXRYUDPAJ-UHFFFAOYSA-N, 2-ethoxy-pyrimidine-5-boronic acid, ZX-AT019654, ANW-14221, FCH921486, MFCD07375134, AKOS006344726, ZINC169747361, AB41252, AM86193, E2621G1, HP21793, OR15522, RP08833, RTC-068799, DS-17536, SY039525, AX8023594, DB-058345, ST2402206, TC-068799, FT-0685373, X1483, KS-00000104, MFCD07375134 (95%), 2-ethoxypyrimidine-5-boronic acid, AldrichCPR, A-4043, A19509, I03-805, BORONIC ACID, B-(2-ETHOXY-5-PYRIMIDINYL)-, J-509313, C6H9BN2O3, ACN-001776, 2-ETHOXYPYRIMIDINE-5-BORONICACID,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.071g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	167.959g/mol
Monoisotopic Mass	168.071g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	75.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number