AG004XST

847818-64-8 | 1-Isobutyl-1H-pyrazole-5-boronic acid

AG004XST

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	847818-64-8
Catalog Number	AG004XST(AGN-PC-008TPK)
Chemical Name	1-Isobutyl-1H-pyrazole-5-boronic acid
IUPAC Name	[2-(2-methylpropyl)pyrazol-3-yl]boronic acid
InChI	InChI=1S/C7H13BN2O2/c1-6(2)5-10-7(8(11)12)3-4-9-10/h3-4,6,11-12H,5H2,1-2H3
InChI Key	BWVFMCUVLDWEDN-UHFFFAOYSA-N
MDL Number	MFCD12407379
Molecular Formula	C7H13BN2O2
Molecular Weight	168.0013
SMILES	CC(C)CN1N=CC=C1B(O)O
Synonyms	847818-64-8, (1-Isobutyl-1H-pyrazol-5-yl)boronic acid, 1-Isobutyl-1H-pyrazole-5-boronic acid, ACMC-209pwn, SCHEMBL3716606, CTK8B2401, DTXSID10465368, ANW-37845, MFCD12407379, AKOS015893125, ZINC169951730, AB65575, DA-02862, (1-Isobutyl-1H-pyrazole-5-yl)boronic acid, TC-126590, FT-0757789, V7955, A-2758, [1-(2-methylpropyl)-1H-pyrazol-5-yl]boronic acid, I04-1960, B-[1-(2-methylpropyl)-1H-pyrazol-5-yl]Boronic acid, Boronic acid, B-[1-(2-methylpropyl)-1H-pyrazol-5-yl]-, C7H13BN2O2, CID11423804, (1-isobutyl-1H-pyrazol-5-yl)boronicacid, [2-(2-methylpropyl)pyrazol-3-yl]boronic Acid,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.107g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	168.003g/mol
Monoisotopic Mass	168.107g/mol
Rotatable Bond Count	3
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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number