AG000QG7

1201657-32-0 | 1H-Pyrazole-1-acetic acid, α,α-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester

AG000QG7

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CAS Number	1201657-32-0
Catalog Number	AG000QG7(AGN-PC-0WCMVM)
Chemical Name	1H-Pyrazole-1-acetic acid, α,α-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
IUPAC Name	ethyl 2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanoate
InChI	InChI=1S/C15H25BN2O4/c1-8-20-12(19)13(2,3)18-10-11(9-17-18)16-21-14(4,5)15(6,7)22-16/h9-10H,8H2,1-7H3
InChI Key	FIXNVGDENQNXPD-UHFFFAOYSA-N
MDL Number	MFCD18383253
Molecular Formula	C15H25BN2O4
Molecular Weight	308.1810
SMILES	CCOC(=O)C(C)(C)N1C=C(C=N1)B1OC(C)(C)C(C)(C)O1
Synonyms	1201657-32-0, ethyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate, (1-(1-ETHOXY-2-METHYL-1-OXOPROPAN-2-YL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER, FIXNVGDENQNXPD-UHFFFAOYSA-N, SCHEMBL1427738, CS-M2566, MFCD18383253, ZINC201491014, SB16054, KS-0000060Y, AS-40965, SC-48099, BC6234791, A1-08990, Ethyl-2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dio, 1H-Pyrazole-1-acetic acid, alpha,alpha-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester, 2-Methyl-2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-propionic acid ethyl ester, 2-Methyl-2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyrazol-1-yl]propionic acid ethyl ester, alpha,alpha-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1H-pyrazole-1-acetic acid ethyl ester, ethyl 2-methyl-2-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-1H-pyrazol-1-yl]propionate, 1-(1-Ethoxycarbonyl-2,2-dimethyl)-1H-pyrazole-4-boronic acid, pinacol ester, ethyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate, 95% - 1G 1g,

Complexity	423
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	308.191g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	308.185g/mol
Monoisotopic Mass	308.191g/mol
Rotatable Bond Count	5
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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