AG003ABS

186551-69-9 | tert-Butyl 3-(bromomethyl)-1H-pyrazole-1-carboxylate

AG003ABS

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CAS Number	186551-69-9
Catalog Number	AG003ABS(AGN-PC-045FWK)
Chemical Name	tert-Butyl 3-(bromomethyl)-1H-pyrazole-1-carboxylate
IUPAC Name	tert-butyl 3-(bromomethyl)pyrazole-1-carboxylate
InChI	InChI=1S/C9H13BrN2O2/c1-9(2,3)14-8(13)12-5-4-7(6-10)11-12/h4-5H,6H2,1-3H3
InChI Key	PZYLFTPEOMFQFJ-UHFFFAOYSA-N
MDL Number	MFCD09701344
Molecular Formula	C9H13BrN2O2
Molecular Weight	261.1157
SMILES	BrCC1=NN(C=C1)C(=O)OC(C)(C)C
Synonyms	186551-69-9, tert-Butyl 3-(bromomethyl)-1H-pyrazole-1-carboxylate, 3-BROMOMETHYL-PYRAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, N-tert-butyloxycarbonylpyrazol-3-ylmethyl bromide, SCHEMBL2006922, CTK8H3822, DTXSID10635024, PZYLFTPEOMFQFJ-UHFFFAOYSA-N, 2218AJ, MFCD09701344, ZINC95635226, FCH1392285, ACM186551699, AS-47566, AJ-133265, AX8291379, DB-065569, FT-0711519, Z-6979, tert-butyl 3-(bromomethyl)pyrazole-1-carboxylate, 3-Bromomethylpyrazole-1-carboxylic Acid Tert-Butyl Ester, 3-bromomethyl pyrazole 1-carboxylic acid tert-butyl ester, 1,1-Dimethylethyl 3-(bromomethyl)-1H-pyrazole-1-carboxylate, C9H13BrN2O2,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	260.016g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	261.119g/mol
Monoisotopic Mass	260.016g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
Signal Words	danger
UN Code	UN 1759

Certificate of Analysis

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