AG000DFC

1169789-29-0 | 1-N-Boc-6-bromo-4-methoxy-1h-indazole

AG000DFC

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CAS Number	1169789-29-0
Catalog Number	AG000DFC(AGN-PC-0WCXJB)
Chemical Name	1-N-Boc-6-bromo-4-methoxy-1h-indazole
IUPAC Name	tert-butyl 6-bromo-4-methoxyindazole-1-carboxylate
InChI	InChI=1S/C13H15BrN2O3/c1-13(2,3)19-12(17)16-10-5-8(14)6-11(18-4)9(10)7-15-16/h5-7H,1-4H3
InChI Key	GAADFSICYFVBNI-UHFFFAOYSA-N
MDL Number	MFCD23134666
Molecular Formula	C13H15BrN2O3
Molecular Weight	327.1738
SMILES	O=C(N1N=CC2=C1C=C(Br)C=C2OC)OC(C)(C)C
Synonyms	1169789-29-0, tert-butyl 6-bromo-4-methoxy-1h-indazole-1-carboxylate, 1-N-Boc-6-bromo-4-methoxy-1H-indazole, AK173391, 1H-Indazole-1-carboxylic acid, 6-bromo-4-methoxy-, 1,1-dimethylethyl ester, SCHEMBL2921466, ZX-RL001881, MFCD23134666, ZINC80443759, AKOS025395953, DS-8493, OR305133, QC-11589, L-1497, tert-butyl 6-bromo-4-methoxyindazole-1-carboxylate,

Complexity	345
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	326.027g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	327.178g/mol
Monoisotopic Mass	326.027g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	53.4A^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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