AG008U44

1092352-37-8 | tert-Butyl 7-bromo-1H-indazole-1-carboxylate

AG008U44

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CAS Number	1092352-37-8
Catalog Number	AG008U44(AGN-PC-05SPOX)
Chemical Name	tert-Butyl 7-bromo-1H-indazole-1-carboxylate
IUPAC Name	tert-butyl 7-bromoindazole-1-carboxylate
InChI	InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-10-8(7-14-15)5-4-6-9(10)13/h4-7H,1-3H3
InChI Key	RLIZUEVNZCJXOJ-UHFFFAOYSA-N
MDL Number	MFCD11505878
Molecular Formula	C12H13BrN2O2
Molecular Weight	297.1478
SMILES	O=C(N1N=CC2=C1C(Br)=CC=C2)OC(C)(C)C
Synonyms	1092352-37-8, tert-Butyl 7-bromo-1H-indazole-1-carboxylate, 7-Bromoindazole-1-carboxylic acid tert-butyl ester, 1-Boc-7-bromo-1H-indazole, tert-butyl 7-bromoindazole-1-carboxylate, AK-77640, 7-Bromo-indazole-1-carboxylic acid tert-butyl ester, W-204700, ACMC-20992g, 1-N-Boc-7-bromo-1H-indazole, CTK5I8646, DTXSID80653356, ZX-AT008496, ANW-16022, MFCD11505878, ZINC30678555, AKOS005258564, FCH2838101, OR43565, RP07518, 7-Bromo-1H-indazole, N1-BOC protected, AJ-84119, BR-77640, DS-17186, SC-47948, ACM1092352378, AX8224198, DB-059845, TC-068418, CS-0006107, FT-0685629, ST24025973, X8908, B-6430, J-519164, 7-Bromo-indazole-1-carboxylic acid tert-butyl ester 98%, C12H13BrN2O2,

Complexity	303
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	296.016g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	297.152g/mol
Monoisotopic Mass	296.016g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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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