AG0032B4

847818-62-6 | (1,3,5-Trimethyl-1H-pyrazol-4-yl)boronic acid

AG0032B4

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CAS Number	847818-62-6
Catalog Number	AG0032B4(AGN-PC-0NH299)
Chemical Name	(1,3,5-Trimethyl-1H-pyrazol-4-yl)boronic acid
IUPAC Name	(1,3,5-trimethylpyrazol-4-yl)boronic acid
InChI	InChI=1S/C6H11BN2O2/c1-4-6(7(10)11)5(2)9(3)8-4/h10-11H,1-3H3
InChI Key	AWOUMBMZDWJMGM-UHFFFAOYSA-N
MDL Number	MFCD11183310
Molecular Formula	C6H11BN2O2
Molecular Weight	153.9747
SMILES	CN1N=C(C(=C1C)B(O)O)C
Synonyms	847818-62-6, 1,3,5-Trimethylpyrazole-4-boronic acid, (1,3,5-Trimethyl-1H-pyrazol-4-yl)boronic acid, BORONIC ACID, B-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)-, 1,3,5-TRIMETHYL-1H-PYRAZOL-4-YLBORONIC ACID, Boronic acid, (1,3,5-trimethyl-1H-pyrazol-4-yl)-, ACMC-209pwm, (1,3,5-trimethylpyrazol-4-yl)boronic Acid, SCHEMBL585201, CTK8B2400, DTXSID50457520, AWOUMBMZDWJMGM-UHFFFAOYSA-N, KS-00000OZ1, ANW-37844, MFCD11183310, AKOS009317881, ZINC169794595, AB63742, 1,3,5-trimethylpyrazol-4-ylboronic acid, AK-51284, DS-15803, SC-97501, TR-026201, CS-0061400, V7954, B-4044, (TRIMETHYL-1H-PYRAZOL-4-YL)BORONIC ACID, I04-2280, 1,3,5-TRIMETHYL-1H-PYRAZOLE-4-BORONIC ACID, 1,3,5-Trimethyl-1H-pyrazol-4-ylboronic acid, AldrichCPR, C6H11BN2O2, CID11171100,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.091g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	153.976g/mol
Monoisotopic Mass	154.091g/mol
Rotatable Bond Count	1
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

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