AG003RJT

1346597-55-4 | Methyl 1-acetyl-6-bromo-1H-indazole-4-carboxylate

AG003RJT

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CAS Number	1346597-55-4
Catalog Number	AG003RJT(AGN-PC-0HVBHI)
Chemical Name	Methyl 1-acetyl-6-bromo-1H-indazole-4-carboxylate
IUPAC Name	methyl 1-acetyl-6-bromoindazole-4-carboxylate
InChI	InChI=1S/C11H9BrN2O3/c1-6(15)14-10-4-7(12)3-8(11(16)17-2)9(10)5-13-14/h3-5H,1-2H3
InChI Key	OPFAXWVSQSRJFT-UHFFFAOYSA-N
MDL Number	MFCD20491414
Molecular Formula	C11H9BrN2O3
Molecular Weight	297.1048
SMILES	O=C(C1=CC(Br)=CC2=C1C=NN2C(C)=O)OC
Synonyms	Methyl 1-acetyl-6-bromo-1H-indazole-4-carboxylate, 1346597-55-4, SCHEMBL12499367, OPFAXWVSQSRJFT-UHFFFAOYSA-N, 6883AJ, MFCD20491414, ZINC90513200, AKOS022184172, SB18499, KS-0000068W, TRA-0183963, AK-85929, AS-32052, SY016739, AJ-128848, AX8268789, DB-021825, TC-308385, CS-0008589, FT-0749684, MFCD20491414 (95%), Z-4382, 1H-Indazole-4-carboxylic acid,1-acetyl-6-broMo-,Methyl ester, C11H9BrN2O3, 253-52-1,

Complexity	337
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	295.98g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	297.108g/mol
Monoisotopic Mass	295.98g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	61.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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