AG0000IM

1000342-30-2 | Methyl 5-bromo-1H-indazole-6-carboxylate

AG0000IM

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CAS Number	1000342-30-2
Catalog Number	AG0000IM(AGN-PC-0WAJ40)
Chemical Name	Methyl 5-bromo-1H-indazole-6-carboxylate
IUPAC Name	methyl 5-bromo-1H-indazole-6-carboxylate
InChI	InChI=1S/C9H7BrN2O2/c1-14-9(13)6-3-8-5(2-7(6)10)4-11-12-8/h2-4H,1H3,(H,11,12)
InChI Key	OMGXGABLIDYSNN-UHFFFAOYSA-N
MDL Number	MFCD09749941
Molecular Formula	C9H7BrN2O2
Molecular Weight	255.0681
SMILES	COC(=O)C1=C(Br)C=C2C=NNC2=C1
Synonyms	Methyl 5-bromo-1H-indazole-6-carboxylate, 1000342-30-2, AK103865, 5-bromo-1H-Indazole-6-carboxylic acid methyl ester, MFCD09749941, Methyl5-Bromo-1H-indazole-6-carboxylate, SCHEMBL18554980, CTK8C0266, KS-00000BWI, DTXSID10646736, ZX-RL001872, 0043AA, ANW-64407, ZINC14986125, AKOS016006394, CS-W005943, FCH1393001, SS-6015, AC-29534, AJ-66519, OR305115, QC-10673, SC-89363, SY035923, 5-Bromo-methyl [1H]indazole-6-carboxylate, AB0092364, AX8235404, TC-153152, FT-0741459, MFCD09749941 (95%), L-1465, Methyl 5-bromo-1H-indazole-6-carboxylate, 95%, 1H-Indazole-6-carboxylic acid, 5-bromo-, methyl ester, C9H7BrN2O2, methyl 5-bromo-1H-indazole-6-carboxylate, 95% - 1G 1g,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.969g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	255.071g/mol
Monoisotopic Mass	253.969g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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