AG0039DR

534595-85-2 | Methyl 3-iodo-1H-indole-2-carboxylate

AG0039DR

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CAS Number	534595-85-2
Catalog Number	AG0039DR(AGN-PC-0K5XTS)
Chemical Name	Methyl 3-iodo-1H-indole-2-carboxylate
IUPAC Name	methyl 3-iodo-1H-indole-2-carboxylate
InChI	InChI=1S/C10H8INO2/c1-14-10(13)9-8(11)6-4-2-3-5-7(6)12-9/h2-5,12H,1H3
InChI Key	PBUCSGICMRIPAA-UHFFFAOYSA-N
MDL Number	MFCD04124152
Molecular Formula	C10H8INO2
Molecular Weight	301.0805
SMILES	IC1=C(NC2=CC=CC=C12)C(=O)OC
Synonyms	methyl 3-iodo-1H-indole-2-carboxylate, 534595-85-2, 3-iodo-indole-2-carboxylic Acid Methyl Ester, 3-Iodo-1H-indole-2-carboxylic acid methyl ester, AC1LSGNF, methyliodoindolecarboxylate, Bionet2_001274, SCHEMBL3338049, CTK6I8042, DTXSID40363368, PBUCSGICMRIPAA-UHFFFAOYSA-N, HMS1367J20, KS-00001RC3, ZINC1402159, ZX-AT003504, MFCD04124152, AKOS005069308, FCH1328163, MCULE-2888474431, OR15108, RP16091, RTR-062557, CJ-04903, 3-iodoindol-2-carboxylic acid methyl ester, TR-062557, 3-Iodoindole-2-carboxylic acid methyl ester, V6463, SR-01000307009, 10W-0241, J-522186, SR-01000307009-1, C10H8INO2, ZINC01402159, CID1487679,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	300.96g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	301.083g/mol
Monoisotopic Mass	300.96g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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