AG00459B

885279-52-7 | 1H-Indazole-3-carboxylicacid, 7-bromo-, methyl ester

AG00459B

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CAS Number	885279-52-7
Catalog Number	AG00459B(AGN-PC-0VM61J)
Chemical Name	1H-Indazole-3-carboxylicacid, 7-bromo-, methyl ester
IUPAC Name	methyl 7-bromo-2H-indazole-3-carboxylate
InChI	InChI=1S/C9H7BrN2O2/c1-14-9(13)8-5-3-2-4-6(10)7(5)11-12-8/h2-4H,1H3,(H,11,12)
InChI Key	ZWIGZYXFNSNWME-UHFFFAOYSA-N
MDL Number	MFCD07371616
Molecular Formula	C9H7BrN2O2
Molecular Weight	255.0681
SMILES	O=C(C1=NNC2=C1C=CC=C2Br)OC
Synonyms	METHYL 7-BROMO-1H-INDAZOLE-3-CARBOXYLATE, 885279-52-7, 1H-Indazole-3-carboxylicacid, 7-bromo-, methyl ester, methyl 7-bromo-2H-indazole-3-carboxylate, SCHEMBL18512242, CTK5G0652, DTXSID80696369, 4262AC, ANW-59907, CM-334, MFCD07371616, ZINC82048544, AKOS016004539, FCH1382937, PB32497, QC-8116, KS-0000072R, AK-31503, AS-34500, AJ-124748, AX8026954, DB-077811, ST1100749, TC-148652, CS-0048917, FT-0724381, Q-1716, C9H7BrN2O2, ACN-045174, METHYL7-BROMO-1H-INDAZOLE-3-CARBOXYLATE,

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	2.4

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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