AG0093MQ

1126424-50-7 | tert-Butyl methyl 1h-indazole-1,6-dicarboxylate

AG0093MQ

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CAS Number	1126424-50-7
Catalog Number	AG0093MQ(AGN-PC-0WA4UD)
Chemical Name	tert-Butyl methyl 1h-indazole-1,6-dicarboxylate
IUPAC Name	1-O-tert-butyl 6-O-methyl indazole-1,6-dicarboxylate
InChI	InChI=1S/C14H16N2O4/c1-14(2,3)20-13(18)16-11-7-9(12(17)19-4)5-6-10(11)8-15-16/h5-8H,1-4H3
InChI Key	QWMRWZQWWSEPJS-UHFFFAOYSA-N
MDL Number	MFCD17016051
Molecular Formula	C14H16N2O4
Molecular Weight	276.2878
SMILES	O=C(N1N=CC2=C1C=C(C(OC)=O)C=C2)OC(C)(C)C
Synonyms	1-tert-Butyl 6-methyl 1H-indazole-1,6-dicarboxylate, 1126424-50-7, tert-Butyl methyl 1H-indazole-1,6-dicarboxylate, AK-78386, SCHEMBL832533, CTK8B8629, KS-00000PMY, DTXSID70732184, QWMRWZQWWSEPJS-UHFFFAOYSA-N, ANW-60929, MFCD17016051, ZINC82048380, AKOS016003366, DS-2375, PB15272, SC-52306, AB0068665, AJ-124685, AX8224670, TC-149674, 4CH-011333, ST24021382, Q-1235, 1-O-tert-butyl 6-O-methyl indazole-1,6-dicarboxylate, 1H-Indazole-1,6-dicarboxylic acid, 1-(1,1-dimethyl, 1-BOC-1H-INDAZOLE-6-CARBOXYLIC ACID METHYL ESTER,

Complexity	391
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.111g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	276.292g/mol
Monoisotopic Mass	276.111g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	70.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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