AG000TA3

126811-31-2 | 1H-Indole, 4,7-dibromo-

AG000TA3

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CAS Number	126811-31-2
Catalog Number	AG000TA3(AGN-PC-020YUR)
Chemical Name	1H-Indole, 4,7-dibromo-
IUPAC Name	4,7-dibromo-1H-indole
InChI	InChI=1S/C8H5Br2N/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4,11H
InChI Key	LGHKXNCCGYOQRK-UHFFFAOYSA-N
MDL Number	MFCD08272255
Molecular Formula	C8H5Br2N
Molecular Weight	274.9400
SMILES	BrC1=CC=C(Br)C2=C1NC=C2
Synonyms	4,7-dibromo-1H-indole, 126811-31-2, 4,7-Dibromoindole, 1H-Indole, 4,7-dibromo-, AK105082, 4, 7-dibromo-1H-indole, SCHEMBL2124264, CTK4B5348, KS-00000QNA, DTXSID70595933, LGHKXNCCGYOQRK-UHFFFAOYSA-N, ANW-57969, CD-333, MFCD08272255, RW3748, ZINC44184900, AKOS015835338, DS-4446, FCH1386538, HCH0043878, QC-9724, SB15239, SC-35886, AB0097902, AJ-109496, AX8238621, DB-062508, TC-064460, 4CH-003394, A2659, CS-0041229, FT-0682470, ST24042665, Z2792, W-2031, I10-0394, C8H5Br2N,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.877g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	274.943g/mol
Monoisotopic Mass	272.879g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	15.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number