AG004OMD

847818-56-8 | 1-Ethylpyrazole-4-boronic Acid

AG004OMD

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CAS Number	847818-56-8
Catalog Number	AG004OMD(AGN-PC-0099ZH)
Chemical Name	1-Ethylpyrazole-4-boronic Acid
IUPAC Name	(1-ethylpyrazol-4-yl)boronic acid
InChI	InChI=1S/C5H9BN2O2/c1-2-8-4-5(3-7-8)6(9)10/h3-4,9-10H,2H2,1H3
InChI Key	IIBSDEGSGLVNOY-UHFFFAOYSA-N
MDL Number	MFCD10703521
Molecular Formula	C5H9BN2O2
Molecular Weight	139.9482
SMILES	CCN1N=CC(B(O)O)=C1
Synonyms	1-Ethylpyrazole-4-boronic acid, 847818-56-8, (1-Ethyl-1H-pyrazol-4-yl)boronic acid, 1-Ethyl-1H-pyrazole-4-boronic acid, Boronic acid, (1-ethyl-1H-pyrazol-4-yl)-, 1-ethyl-1H-pyrazol-4-ylboronic acid, ACMC-209pwj, 1ethylpyrazole-4-boronic acid, SCHEMBL532133, 1-Ethylpyrazole-4-boronicAcid, CTK5F3100, KS-00000ARR, DTXSID90466035, IIBSDEGSGLVNOY-UHFFFAOYSA-N, ANW-37841, MFCD10703521, SBB052586, AKOS010942748, ZINC169746508, AB62666, AK-93142, CS-11558, SY024901, 1-ethylpyrazole-4-boronic acid, AldrichCPR, TR-037969, CS-0045063, FT-0735431, ST24020074, V7953, MFCD10703521 (95%), B-4792, I04-2070, C5H9BN2O2, (1-ethylpyrazol-4-yl)boronic Acid, CID11446376,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.076g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	139.949g/mol
Monoisotopic Mass	140.076g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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