AG003J3A

525593-33-3 | 3-Bromo-5-nitroindole

AG003J3A

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CAS Number	525593-33-3
Catalog Number	AG003J3A(AGN-PC-06H718)
Chemical Name	3-Bromo-5-nitroindole
IUPAC Name	3-bromo-5-nitro-1H-indole
InChI	InChI=1S/C8H5BrN2O2/c9-7-4-10-8-2-1-5(11(12)13)3-6(7)8/h1-4,10H
InChI Key	LBTWTOYAMQQAKO-UHFFFAOYSA-N
MDL Number	MFCD11110951
Molecular Formula	C8H5BrN2O2
Molecular Weight	241.0415
SMILES	O=[N+](C1=CC2=C(NC=C2Br)C=C1)[O-]
Synonyms	3-BROMO-5-NITROINDOLE, 3-bromo-5-nitro-1H-indole, 525593-33-3, 1H-Indole, 3-bromo-5-nitro-, SCHEMBL981675, ACMC-209l05, AC1Q1Y67, CTK4J6102, KS-00000DHZ, DTXSID60655590, LBTWTOYAMQQAKO-UHFFFAOYSA-N, ANW-31491, MFCD11110951, ZINC33426806, AKOS009322817, CB-2141, CS-W007030, MCULE-3229936623, QC-9780, TRA0014481, WT82120, AC-30545, AJ-86084, AK-72660, AN-27903, BC004512, CJ-18052, DS-15215, SY006253, AB0050831, AB1000729, DB-014613, TC-120236, 4CH-021665, FT-0740476, ST24041932, V6390, EN300-62801, Z-3977, MFCD11110951 (97+%), 593B333, I10-0816, Z993967074, null, 3-bromo-5-nitroindazole, 5-Nitro-3-bromoindazole, C8H5BrN2O2, 3-bromo-5-nitro-1H-indazole, 1H-INDAZOLE,3-BROMO-5-NITRO-, 67400-25-3,

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	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number