AG007F4E

1040276-87-6 | 1-BOC-4-bromo-3,5-dimethylpyrazole

AG007F4E

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CAS Number	1040276-87-6
Catalog Number	AG007F4E(AGN-PC-0WNMPQ)
Chemical Name	1-BOC-4-bromo-3,5-dimethylpyrazole
IUPAC Name	tert-butyl 4-bromo-3,5-dimethylpyrazole-1-carboxylate
InChI	InChI=1S/C10H15BrN2O2/c1-6-8(11)7(2)13(12-6)9(14)15-10(3,4)5/h1-5H3
InChI Key	ICZWOYCHFVRCGS-UHFFFAOYSA-N
MDL Number	MFCD12756451
Molecular Formula	C10H15BrN2O2
Molecular Weight	275.1423
SMILES	CC1=NN(C(=O)OC(C)(C)C)C(C)=C1Br
Synonyms	1040276-87-6, 1-BOC-4-bromo-3,5-dimethylpyrazole, tert-Butyl 4-bromo-3,5-dimethyl-1H-pyrazole-1-carboxylate, C10H15BrN2O2, ACMC-2098af, SCHEMBL3231153, CTK4A2604, DTXSID40675377, ANW-15013, MFCD12756451, ZINC38537869, AKOS015837070, FCH1727609, AJ-96256, AX8240256, TR-033897, Z6716, A-4307, I14-25022,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.032g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	275.146g/mol
Monoisotopic Mass	274.032g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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