AG003RRK

220664-31-3 | Methyl 3-bromo-1H-indole-2-carboxylate

AG003RRK

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CAS Number	220664-31-3
Catalog Number	AG003RRK(AGN-PC-0KKQ5J)
Chemical Name	Methyl 3-bromo-1H-indole-2-carboxylate
IUPAC Name	methyl 3-bromo-1H-indole-2-carboxylate
InChI	InChI=1S/C10H8BrNO2/c1-14-10(13)9-8(11)6-4-2-3-5-7(6)12-9/h2-5,12H,1H3
InChI Key	FSLMMQAVWOFUOM-UHFFFAOYSA-N
MDL Number	MFCD03844858
Molecular Formula	C10H8BrNO2
Molecular Weight	254.0800
SMILES	O=C(C(N1)=C(Br)C2=C1C=CC=C2)OC
Synonyms	methyl 3-bromo-1H-indole-2-carboxylate, 220664-31-3, methyl 3-bromoindole-2-carboxylate, 3-Bromo-1H-indole-2-carboxylic acid methyl ester, AC1MC9MH, methylbromoindolecarboxylate, SCHEMBL3879382, CTK4E8458, KS-00000BFP, DTXSID00377401, Methyl3-Bromoindole-2-carboxylate, ZINC170128, ANW-46042, MFCD03844858, SBB054065, AKOS005071162, MCULE-7620383988, RP14420, RTR-010391, TRA0024771, AJ-17399, CJ-02483, EN000578, SC-59893, SY006240, AB1000718, DB-014259, ST2407196, TR-010391, CS-0044440, FT-0680601, ST50949783, W4554, C-6355, MFCD03844858 (95+%), 7W-0815, 1H-Indole-2-carboxylicacid, 3-bromo-, methyl ester, I10-1062, J-522148, null, C10H8BrNO2, ZINC00170128, CID2764320, Methyl3-bromo-1H-indole-2-carboxylate,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.974g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	254.083g/mol
Monoisotopic Mass	252.974g/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-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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