AG000T95

126807-08-7 | 1H-Indole, 3-bromo-4-nitro-

AG000T95

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CAS Number	126807-08-7
Catalog Number	AG000T95(AGN-PC-00273V)
Chemical Name	1H-Indole, 3-bromo-4-nitro-
IUPAC Name	3-bromo-4-nitro-1H-indole
InChI	InChI=1S/C8H5BrN2O2/c9-5-4-10-6-2-1-3-7(8(5)6)11(12)13/h1-4,10H
InChI Key	VYQRPDVMVMLVHA-UHFFFAOYSA-N
MDL Number	MFCD04973972
Molecular Formula	C8H5BrN2O2
Molecular Weight	241.0415
SMILES	O=[N+](C1=CC=CC2=C1C(Br)=CN2)[O-]
Synonyms	3-Bromo-4-nitroindole, 126807-08-7, 3-Bromo-4-nitro-1H-indole, 1H-Indole,3-bromo-4-nitro-, 1H-Indole, 3-bromo-4-nitro-, ACMC-20dlf4, SCHEMBL3786029, CTK4B5345, KS-00000DHY, DTXSID80563209, ZINC2541449, 3407AD, MFCD04973972, AKOS013575314, QC-8233, SB15297, TRA0051800, WT82421, AJ-39176, CJ-09242, CS-11127, SY006245, AB0050972, AB1000722, DB-014288, RT-008614, FT-0708069, ST24041877, K-3946, MFCD04973972 (97+%), null, C8H5BrN2O2,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.953g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	241.044g/mol
Monoisotopic Mass	239.953g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	61.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number