AG00GYNG

87240-06-0 | 7-Bromo-5-nitroindoline

AG00GYNG

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CAS Number	87240-06-0
Catalog Number	AG00GYNG(AGN-PC-0JP0M9)
Chemical Name	7-Bromo-5-nitroindoline
IUPAC Name	7-bromo-5-nitro-2,3-dihydro-1H-indole
InChI	InChI=1S/C8H7BrN2O2/c9-7-4-6(11(12)13)3-5-1-2-10-8(5)7/h3-4,10H,1-2H2
InChI Key	WCSNLUZLJCPUDG-UHFFFAOYSA-N
MDL Number	MFCD09258800
Molecular Formula	C8H7BrN2O2
Molecular Weight	243.0574
NSC Number	283852
SMILES	O=[N+](C1=CC2=C(NCC2)C(Br)=C1)[O-]
Synonyms	7-bromo-5-nitroindoline, 87240-06-0, 7-bromo-5-nitro-2,3-dihydro-1H-indole, MLS003115555, NSC283852, 1H-Indole, 7-bromo-2,3-dihydro-5-nitro-, AC1L88QL, SCHEMBL3920383, SCHEMBL3920389, CHEMBL2130556, CTK5I6330, DTXSID80314475, WCSNLUZLJCPUDG-UHFFFAOYSA-N, ZINC5389606, 1189AF, MFCD09258800, SBB099672, AKOS015898588, NSC-283852, AJ-53961, DA-41021, SMR001831129, FT-0684482, ST24045607, I10-1100, C8H7BrN2O2, CID323490,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.969g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	243.06g/mol
Monoisotopic Mass	241.969g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	57.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code

Certificate of Analysis

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